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  1. ALA5283163

    Name:
    2-(3,7-dimethylocta-2,6-dien-1-yl)-5-(1-((2R,4aR,9
    Show More

    Mol. Formula:
    C35H45N3O5

    M.W.:
    587.76

    Type:
    ---

    AlogP:
    7.08

    Polar Surface Area:
    109.86

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  2. ALA1090533

    Name:
    2,3,4a,5,6,7,8,8a-octahydro-1H-benzo[d]pyrrolo[1,2
    Show More

    Mol. Formula:
    C10H14N2O

    M.W.:
    178.23

    Type:
    Small molecule

    AlogP:
    1.33

    Polar Surface Area:
    32.67

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.55

    DETAILS
  3. ALA1092831

    Name:
    7-bromo-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imida
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    Mol. Formula:
    C10H7BrN2O

    M.W.:
    251.08

    Type:
    Small molecule

    AlogP:
    2.39

    Polar Surface Area:
    34.89

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.72

    DETAILS
  4. ALA1091120

    Name:
    8-hydroxy-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imi
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    Mol. Formula:
    C10H8N2O2

    M.W.:
    188.19

    Type:
    Small molecule

    AlogP:
    1.33

    Polar Surface Area:
    55.12

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  5. ALA1093593

    Name:
    6,7-dimethyl-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]
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    Mol. Formula:
    C12H12N2O

    M.W.:
    200.24

    Type:
    Small molecule

    AlogP:
    2.24

    Polar Surface Area:
    34.89

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.65

    DETAILS
  6. ALA1096724

    Name:
    (2R*,3S*,4R*,6S*)-2-(4-Chlorophenyl)tetrahydro-3,4
    Show More

    Mol. Formula:
    C25H22ClNO2S

    M.W.:
    435.98

    Type:
    Small molecule

    AlogP:
    6.06

    Polar Surface Area:
    53.25

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  7. ALA4548558

    Name:
    7-Aza-phomopsolide E

    Mol. Formula:
    C14H19NO6

    M.W.:
    297.31

    Type:
    Unknown

    AlogP:
    -0.16

    Polar Surface Area:
    101.93

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  8. ALA5274245

    Name:
    N-(4-chlorophenyl)-3-(5,6,7-trimethoxy-4-oxo-4H-ch
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    Mol. Formula:
    C25H20ClNO6

    M.W.:
    465.89

    Type:
    ---

    AlogP:
    5.39

    Polar Surface Area:
    87.00

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  9. ALA5273112

    Name:
    N-(p-tolyl)-3-(5,6,7-trimethoxy-4-oxo-4H-chromen-2
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    Mol. Formula:
    C26H23NO6

    M.W.:
    445.47

    Type:
    ---

    AlogP:
    5.05

    Polar Surface Area:
    87.00

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  10. ALA4090892

    Name:
    3-chloro-7-((1-(2,2-dimethyl-5,10-dioxo-3,4,5,10-t
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    Mol. Formula:
    C33H26BClF2N6O3

    M.W.:
    638.87

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA4524087

    Name:
    arenosclerin E

    Mol. Formula:
    C32H54N2O

    M.W.:
    482.80

    Type:
    Unknown

    AlogP:
    6.99

    Polar Surface Area:
    26.71

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  12. ALA4088604

    Name:
    (E)-3-(3-((7-Chloroquinolin-4-yl)amino)phenyl)-1-(
    Show More

    Mol. Formula:
    C25H19ClN2O2

    M.W.:
    414.89

    Type:
    Small molecule

    AlogP:
    6.54

    Polar Surface Area:
    51.22

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  13. ALA4648960

    Name:
    NA

    Mol. Formula:
    C32H25NO12

    M.W.:
    615.55

    Type:
    Unknown

    AlogP:
    -0.18

    Polar Surface Area:
    212.45

    HBA:
    13

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  14. ALA4639420

    Name:
    Tiancimycin C

    Mol. Formula:
    C29H21NO11

    M.W.:
    559.48

    Type:
    Unknown

    AlogP:
    -0.44

    Polar Surface Area:
    206.38

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  15. ALA4636420

    Name:
    Tiancimycin A

    Mol. Formula:
    C27H19NO8

    M.W.:
    485.45

    Type:
    Unknown

    AlogP:
    0.96

    Polar Surface Area:
    148.85

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  16. ALA4635291

    Name:
    NA

    Mol. Formula:
    C32H23NO11

    M.W.:
    597.53

    Type:
    Unknown

    AlogP:
    -0.13

    Polar Surface Area:
    195.38

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  17. ALA4634930

    Name:
    Tiancimycin F

    Mol. Formula:
    C29H21NO10

    M.W.:
    543.48

    Type:
    Unknown

    AlogP:
    -0.15

    Polar Surface Area:
    186.15

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  18. ALA4634658

    Name:
    Tiancimycin G

    Mol. Formula:
    C30H23NO10

    M.W.:
    557.51

    Type:
    Unknown

    AlogP:
    0.16

    Polar Surface Area:
    175.15

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  19. ALA4633528

    Name:
    Tiancimycin D

    Mol. Formula:
    C30H23NO11

    M.W.:
    573.51

    Type:
    Unknown

    AlogP:
    -0.14

    Polar Surface Area:
    195.38

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  20. ALA4580864

    Name:
    7-Oxa-phomopsolide E

    Mol. Formula:
    C14H18O7

    M.W.:
    298.29

    Type:
    Unknown

    AlogP:
    0.27

    Polar Surface Area:
    99.13

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
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