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  1. ALA3989864

    Name:
    Azotomycin

    Mol. Formula:
    C17H23N7O8

    M.W.:
    453.41

    Type:
    Small molecule

    AlogP:
    -2.47

    Polar Surface Area:
    265.76

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  2. ALA3989508

    Name:
    Duazomycin

    Mol. Formula:
    C8H11N3O4

    M.W.:
    213.19

    Type:
    Small molecule

    AlogP:
    -0.77

    Polar Surface Area:
    119.87

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  3. ALA2107075

    Name:
    Metamelfalan

    Mol. Formula:
    C13H18Cl2N2O2

    M.W.:
    305.21

    Type:
    Small molecule

    AlogP:
    1.93

    Polar Surface Area:
    66.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  4. β-Pyrazofurin Trifluoroacetic Acid Salt

    Name:
    Pirazofurin

    Mol. Formula:
    C9H13N3O6

    M.W.:
    259.22

    Type:
    Small molecule

    AlogP:
    -2.63

    Polar Surface Area:
    161.92

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  5. ALA2103770

    Name:
    Fludorex

    Mol. Formula:
    C11H14F3NO

    M.W.:
    233.23

    Type:
    Small molecule

    AlogP:
    2.61

    Polar Surface Area:
    21.26

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  6. ALA2103751

    Name:
    Prednimustine

    Mol. Formula:
    C35H45Cl2NO6

    M.W.:
    646.65

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    104.14

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  7. ALA1908340

    Name:
    Mitindomide

    Mol. Formula:
    C14H12N2O4

    M.W.:
    272.26

    Type:
    Small molecule

    AlogP:
    -1.17

    Polar Surface Area:
    92.34

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  8. ALA1908339

    Name:
    Mitopodozide

    Mol. Formula:
    C24H30N2O8

    M.W.:
    474.51

    Type:
    Small molecule

    AlogP:
    1.49

    Polar Surface Area:
    127.74

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  9. NKP608

    Name:
    Spergualin

    Mol. Formula:
    C31H24ClF6N3O2

    M.W.:
    619.99

    Type:
    Small molecule

    AlogP:
    7.57

    Polar Surface Area:
    62.30

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  10. Ancitabine

    Name:
    Ancitabine

    Mol. Formula:
    C9H11N3O4

    M.W.:
    225.20

    Type:
    Small molecule

    AlogP:
    -1.63

    Polar Surface Area:
    100.59

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  11. ALA1234391

    Name:
    Menogaril

    Mol. Formula:
    C28H31NO10

    M.W.:
    541.55

    Type:
    Small molecule

    AlogP:
    0.87

    Polar Surface Area:
    166.22

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  12. Gestodene

    Name:
    Gestodene

    Mol. Formula:
    C21H26O2

    M.W.:
    310.44

    Type:
    Small molecule

    AlogP:
    3.66

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  13. ALA1756

    Name:
    Estramustine phosphate

    Mol. Formula:
    C23H32Cl2NO6P

    M.W.:
    520.39

    Type:
    Small molecule

    AlogP:
    5.30

    Polar Surface Area:
    96.30

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  14. ALA471721

    Name:
    Sufosfamide

    Mol. Formula:
    C8H18ClN2O5PS

    M.W.:
    320.74

    Type:
    Small molecule

    AlogP:
    0.62

    Polar Surface Area:
    84.94

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  15. ALA474735

    Name:
    Asamet

    Mol. Formula:
    C22H33Cl2N3O4S

    M.W.:
    506.50

    Type:
    Small molecule

    AlogP:
    2.82

    Polar Surface Area:
    87.74

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  16. ALA474734

    Name:
    Asaline

    Mol. Formula:
    C22H33Cl2N3O4

    M.W.:
    474.43

    Type:
    Small molecule

    AlogP:
    2.72

    Polar Surface Area:
    87.74

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  17. ALA515587

    Name:
    Asaley

    Mol. Formula:
    C23H35Cl2N3O4

    M.W.:
    488.46

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    87.74

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  18. ALA508216

    Name:
    Arazide

    Mol. Formula:
    C10H12N8O3

    M.W.:
    292.26

    Type:
    Small molecule

    AlogP:
    -0.66

    Polar Surface Area:
    168.07

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  19. ALA502876

    Name:
    Dopastin

    Mol. Formula:
    C9H17N3O3

    M.W.:
    215.25

    Type:
    Small molecule

    AlogP:
    1.08

    Polar Surface Area:
    82.00

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  20. ALA510184

    Name:
    Anot

    Mol. Formula:
    C8H9N3O3

    M.W.:
    195.18

    Type:
    Small molecule

    AlogP:
    0.58

    Polar Surface Area:
    112.25

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
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