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  1. ALA1795027

    Name:
    N*1*-((6aS,13aS)-6a,8,13-Trimethyl-7,8,13,13a-tetrahydro-6aH-5,13-diaza-benShow More

    Mol. Formula:
    C24H33ClN4

    M.W.:
    413.01

    Type:
    Small molecule

    AlogP:
    4.75

    Polar Surface Area:
    53.65

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  2. ALA1794833

    Name:
    (6aS,12bS)-N*6*-(4-Amino-butyl)-6a,8,N*9*-trimethyl-6a,7,8,12b-tetrahydro-bShow More

    Mol. Formula:
    C24H33ClN4

    M.W.:
    413.01

    Type:
    Small molecule

    AlogP:
    4.75

    Polar Surface Area:
    62.44

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  3. ALA1794832

    Name:
    (6aS,12bS)-N*6*-(3-Amino-propyl)-6a,8,N*9*-trimethyl-6a,7,8,12b-tetrahydro-Show More

    Mol. Formula:
    C23H31ClN4

    M.W.:
    398.98

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    62.44

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  4. ALA1794831

    Name:
    N*1*-((6aS,13aS)-6a,8,13-Trimethyl-7,8,13,13a-tetrahydro-6aH-5,13-diaza-benShow More

    Mol. Formula:
    C23H31ClN4

    M.W.:
    398.98

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    53.65

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  5. ALA1794830

    Name:
    (6aS,12bS)-6a,8,N*9*-Trimethyl-N*6*-propyl-6a,7,8,12b-tetrahydro-benzo[k]phShow More

    Mol. Formula:
    C23H30ClN3

    M.W.:
    383.97

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    36.42

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  6. ALA1794829

    Name:
    3-((6aS,12bS)-6a,8-Dimethyl-9-methylamino-6a,7,8,12b-tetrahydro-benzo[k]pheShow More

    Mol. Formula:
    C23H30ClN3O

    M.W.:
    399.97

    Type:
    Small molecule

    AlogP:
    4.39

    Polar Surface Area:
    56.65

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  7. ALA559017

    Name:
    3-((6aS,13aS)-6a,8,13-Trimethyl-7,8,13,13a-tetrahydro-6aH-5,13-diaza-benzo[Show More

    Mol. Formula:
    C23H30ClN3O

    M.W.:
    399.97

    Type:
    Small molecule

    AlogP:
    4.39

    Polar Surface Area:
    47.86

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  8. ALA545735

    Name:
    Propyl-((6aS,13aS)-6a,8,13-trimethyl-7,8,13,13a-tetrahydro-6aH-5,13-diaza-bShow More

    Mol. Formula:
    C23H30ClN3

    M.W.:
    383.97

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    27.63

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  9. ALA414804

    Name:
    oxaliplatin

    Mol. Formula:
    C8H12N2O4Pt

    M.W.:
    395.27

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA421775

    Name:
    [Pt(NH3)2BPMAA]

    Mol. Formula:
    C4H14N3O8P2Pt+2

    M.W.:
    489.20

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA147203

    Name:
    [Pt(trans-S,S-chxn)BPMAA]

    Mol. Formula:
    C10H21N3O8P2Pt+

    M.W.:
    568.32

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA343632

    Name:
    [Pt(en)BPMAA]

    Mol. Formula:
    C6H15N3O8P2Pt+

    M.W.:
    514.23

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA414155

    Name:
    4'-substituted 2,2':6,2''-Terpyridineplatinum (II) Picoline complexes

    Mol. Formula:
    C50H50B4F16N12O2Pt2+8

    M.W.:
    1588.40

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA405707

    Name:
    4'-chloro-2,2':6,2''-Terpyridineplatinum (II) complexes

    Mol. Formula:
    C42H32N12O12Pt2+8

    M.W.:
    1286.95

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA262033

    Name:
    4'-chloro-2,2':6,2''-Terpyridineplatinum (II) complexes

    Mol. Formula:
    C44H30N12O12Pt2+8

    M.W.:
    1308.95

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA410609

    Name:
    4'-chloro-2,2':6,2''-Terpyridineplatinum (II) complexes

    Mol. Formula:
    C50H32Cl2N12O12Pt2+8

    M.W.:
    1453.94

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA407341

    Name:
    4'-chloro-2,2':6,2''-Terpyridineplatinum (II) complexes

    Mol. Formula:
    C44H28Cl2N12O12Pt2+8

    M.W.:
    1377.84

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA324865

    Name:
    2,2':6,2''-Terpyridineplatinum (II) complexes

    Mol. Formula:
    C18H14B2F8N5Pt+3

    M.W.:
    669.03

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA217630

    Name:
    4'-substituted 2,2':6,2''-Terpyridineplatinum (II) Picoline complexes

    Mol. Formula:
    C48H46B4F16N12O2Pt2+8

    M.W.:
    1560.35

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA265995

    Name:
    4'-chloro-2,2':6,2''-Terpyridineplatinum (II) complexes

    Mol. Formula:
    C40H30N12O12Pt2+8

    M.W.:
    1260.91

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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