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Compounds

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  1. ALA5316228

    Name:

    Mol. Formula:
    C16H12ClNOS

    M.W.:
    301.80

    Type:
    ---

    AlogP:
    5.44

    Polar Surface Area:
    35.25

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  2. ALA5316225

    Name:
    N-(4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)p
    Show More

    Mol. Formula:
    C37H50O16

    M.W.:
    750.79

    Type:
    ---

    AlogP:
    1.27

    Polar Surface Area:
    243.52

    HBA:
    16

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  3. ALA5316216

    Name:
    5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca
    Show More

    Mol. Formula:
    C13H14ClN3

    M.W.:
    247.73

    Type:
    ---

    AlogP:
    1.80

    Polar Surface Area:
    37.81

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.72

    DETAILS
  4. ALA5316215

    Name:
    MMV1802063

    Mol. Formula:
    C35H42ClN5O8

    M.W.:
    696.20

    Type:
    ---

    AlogP:
    5.60

    Polar Surface Area:
    98.94

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  5. ALA5316214

    Name:
    DDD00099255

    Mol. Formula:
    C9H18N2O2

    M.W.:
    186.25

    Type:
    ---

    AlogP:
    0.28

    Polar Surface Area:
    58.20

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  6. ALA5316213

    Name:
    MRT67307 HCl

    Mol. Formula:
    C26H38Cl2N6O2

    M.W.:
    537.54

    Type:
    ---

    AlogP:
    3.65

    Polar Surface Area:
    91.41

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  7. ALA5316212

    Name:
    Ischemin sodium salt

    Mol. Formula:
    C15H16N3NaO4S

    M.W.:
    357.37

    Type:
    ---

    AlogP:
    3.56

    Polar Surface Area:
    125.34

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  8. ALA5316211

    Name:
    DDD00097253

    Mol. Formula:
    C16H18ClN3O3S

    M.W.:
    367.86

    Type:
    ---

    AlogP:
    1.14

    Polar Surface Area:
    78.51

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  9. ALA5316209

    Name:
    SPARTEINE HYDROIODIDE

    Mol. Formula:
    C15H27IN2

    M.W.:
    362.30

    Type:
    ---

    AlogP:
    2.35

    Polar Surface Area:
    6.48

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.63

    DETAILS
  10. ALA5316208

    Name:

    Mol. Formula:
    C20H29NO

    M.W.:
    299.46

    Type:
    ---

    AlogP:
    4.27

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  11. ALA5316200

    Name:
    Endo-Norborneol

    Mol. Formula:
    C7H12O

    M.W.:
    112.17

    Type:
    ---

    AlogP:
    1.17

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.50

    DETAILS
  12. ALA5316194

    Name:

    Mol. Formula:
    C33H40N2O7S

    M.W.:
    608.76

    Type:
    ---

    AlogP:
    4.33

    Polar Surface Area:
    125.40

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
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