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  1. ALA4744689

    Name:
    7-(2-(2-Aminopyrimidin-5-yl)-4-morpholino-7H-pyrro
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    Mol. Formula:
    C21H28N8O3

    M.W.:
    440.51

    Type:
    Unknown

    AlogP:
    1.76

    Polar Surface Area:
    144.31

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  2. ALA4785064

    Name:
    7-(2-(6-Aminopyridin-3-yl)-6-morpholino-9H-purin-9
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    Mol. Formula:
    C21H28N8O3

    M.W.:
    440.51

    Type:
    Unknown

    AlogP:
    1.76

    Polar Surface Area:
    144.31

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  3. ALA4097539

    Name:
    14-N-(10-Undecenoyl)-tetrandrine

    Mol. Formula:
    C49H61N3O7

    M.W.:
    804.04

    Type:
    Small molecule

    AlogP:
    10.41

    Polar Surface Area:
    90.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  4. ALA4096729

    Name:
    14-N-(4-Chlorobutyryl)-tetrandrine

    Mol. Formula:
    C42H48ClN3O7

    M.W.:
    742.31

    Type:
    Small molecule

    AlogP:
    8.12

    Polar Surface Area:
    90.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  5. ALA4104448

    Name:
    14-N-(3-Bromopropionyl)-tetrandrine

    Mol. Formula:
    C41H46BrN3O7

    M.W.:
    772.74

    Type:
    Small molecule

    AlogP:
    7.89

    Polar Surface Area:
    90.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  6. ALA4104375

    Name:
    14-N-(2,4,6-Trichlorobenzoyl)-tetrandrine

    Mol. Formula:
    C45H44Cl3N3O7

    M.W.:
    845.22

    Type:
    Small molecule

    AlogP:
    10.37

    Polar Surface Area:
    90.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  7. ALA4103348

    Name:
    14-N-Acetyl-tetrandrine

    Mol. Formula:
    C40H45N3O7

    M.W.:
    679.81

    Type:
    Small molecule

    AlogP:
    7.12

    Polar Surface Area:
    90.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  8. ALA4101971

    Name:
    4-N-(4-Chlorobenzoyl)-tetrandrine

    Mol. Formula:
    C45H46ClN3O7

    M.W.:
    776.33

    Type:
    Small molecule

    AlogP:
    9.07

    Polar Surface Area:
    90.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  9. ALA4101454

    Name:
    14-N-(Furan-2-formyl)-tetrandrine

    Mol. Formula:
    C43H45N3O8

    M.W.:
    731.85

    Type:
    Small molecule

    AlogP:
    8.01

    Polar Surface Area:
    104.10

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  10. ALA4101036

    Name:
    14-N-(2-Chlorobenzoyl)-tetrandrine

    Mol. Formula:
    C45H46ClN3O7

    M.W.:
    776.33

    Type:
    Small molecule

    AlogP:
    9.07

    Polar Surface Area:
    90.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  11. ALA4100273

    Name:
    14-N-(Tetrahydrofuran-2-formyl)-tetrandrine

    Mol. Formula:
    C43H49N3O8

    M.W.:
    735.88

    Type:
    Small molecule

    AlogP:
    7.28

    Polar Surface Area:
    100.19

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  12. ALA4093735

    Name:
    14-N-Cinnamoyl-tetrandrine

    Mol. Formula:
    C47H49N3O7

    M.W.:
    767.92

    Type:
    Small molecule

    AlogP:
    8.81

    Polar Surface Area:
    90.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  13. ALA4091251

    Name:
    14-N-(Cyclopropanecarboxylic acid)-tetrandrine

    Mol. Formula:
    C42H47N3O7

    M.W.:
    705.85

    Type:
    Small molecule

    AlogP:
    7.51

    Polar Surface Area:
    90.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  14. ALA4086550

    Name:
    14-N-(Trichloroacetyl)-tetrandrine

    Mol. Formula:
    C40H42Cl3N3O7

    M.W.:
    783.15

    Type:
    Small molecule

    AlogP:
    8.47

    Polar Surface Area:
    90.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  15. ALA4085637

    Name:
    14-N-(2-hydroxyacetic acid)-tetrandrine

    Mol. Formula:
    C40H45N3O8

    M.W.:
    695.81

    Type:
    Small molecule

    AlogP:
    6.09

    Polar Surface Area:
    111.19

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  16. ALA4085559

    Name:
    14-N-(2,4-Dichlorobenzoyl)-tetrandrine

    Mol. Formula:
    C45H45Cl2N3O7

    M.W.:
    810.78

    Type:
    Small molecule

    AlogP:
    9.72

    Polar Surface Area:
    90.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  17. ALA4085423

    Name:
    14-N-Pivaloyl-tetrandrine

    Mol. Formula:
    C43H51N3O7

    M.W.:
    721.90

    Type:
    Small molecule

    AlogP:
    8.15

    Polar Surface Area:
    90.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  18. ALA4089723

    Name:
    14-N-(Isobutylformate)-tetrandrine

    Mol. Formula:
    C43H51N3O8

    M.W.:
    737.89

    Type:
    Small molecule

    AlogP:
    8.37

    Polar Surface Area:
    100.19

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  19. ALA4073432

    Name:
    14-N-(Thiophene-2-formyl)-tetrandrine

    Mol. Formula:
    C43H45N3O7S

    M.W.:
    747.91

    Type:
    Small molecule

    AlogP:
    8.48

    Polar Surface Area:
    90.96

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  20. ALA4073034

    Name:
    14-N-(1-Naphthoyl)-tetrandrine

    Mol. Formula:
    C49H49N3O7

    M.W.:
    791.95

    Type:
    Small molecule

    AlogP:
    9.57

    Polar Surface Area:
    90.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
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