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  1. ALA5280849

    Name:
    2-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-(4-flu
    Show More

    Mol. Formula:
    C14H9F4N5O4S

    M.W.:
    419.32

    Type:
    ---

    AlogP:
    3.97

    Polar Surface Area:
    122.37

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  2. ALA1160686

    Name:
    cyclohexanaminium hydrogen [(3-methylbutyl)amino]c
    Show More

    Mol. Formula:
    C12H27N2O4P

    M.W.:
    294.33

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA1160685

    Name:
    cyclohexanaminium hydrogen (isobutylamino)carbonyl
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    Mol. Formula:
    C11H25N2O4P

    M.W.:
    280.31

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA1160092

    Name:
    2-{2-[Bis-(2-chloro-ethyl)-amino]-3-methyl-2-oxo-2
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    Mol. Formula:
    C10H21Cl2N2O5PS2

    M.W.:
    415.30

    Type:
    Small molecule

    AlogP:
    2.17

    Polar Surface Area:
    87.15

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  5. ALA4791305

    Name:
    1-(2-((2-(piperazin-1-yl)ethyl)amino)benzyl)-5-(tr
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    Mol. Formula:
    C19H23F3N4O

    M.W.:
    380.41

    Type:
    Unknown

    AlogP:
    2.23

    Polar Surface Area:
    49.30

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  6. ALA4548709

    Name:
    2-(4-((9H-carbazol-9-yl)methyl)-1H-1,2,3-triazol-1
    Show More

    Mol. Formula:
    C24H19BrN4O2

    M.W.:
    475.35

    Type:
    Unknown

    AlogP:
    5.09

    Polar Surface Area:
    61.94

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  7. ALA4546309

    Name:
    N-(2,6-Dichlorophenyl)-4-methyl-3-nitrobenzamide

    Mol. Formula:
    C14H10Cl2N2O3

    M.W.:
    325.15

    Type:
    Unknown

    AlogP:
    4.46

    Polar Surface Area:
    72.24

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  8. ALA4550154

    Name:
    2-(4-((9H-carbazol-9-yl)methyl)-1H-1,2,3-triazol-1
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    Mol. Formula:
    C23H18N4O

    M.W.:
    366.42

    Type:
    Unknown

    AlogP:
    4.32

    Polar Surface Area:
    52.71

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  9. ALA4776146

    Name:
    1-(2-chloro-4-((2-morpholinoethyl)amino)phenyl)-5-
    Show More

    Mol. Formula:
    C18H19ClF3N3O2

    M.W.:
    401.82

    Type:
    Unknown

    AlogP:
    3.25

    Polar Surface Area:
    46.50

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  10. ALA5270782

    Name:
    Plagiochiline I

    Mol. Formula:
    C17H24O5

    M.W.:
    308.37

    Type:
    ---

    AlogP:
    1.85

    Polar Surface Area:
    68.29

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  11. ALA5268659

    Name:
    (3aR,4R,5S,5aR,10bR)-3a-hydroxy-N,8,10-trimethoxy-
    Show More

    Mol. Formula:
    C31H33N3O7

    M.W.:
    559.62

    Type:
    ---

    AlogP:
    3.34

    Polar Surface Area:
    111.08

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  12. ALA5209223

    Name:
    2-(3-Fluorophenyl)-N-(6-oxo-1-phenyl-1,6-dihydropy
    Show More

    Mol. Formula:
    C19H15FN2O2

    M.W.:
    322.34

    Type:
    ---

    AlogP:
    3.16

    Polar Surface Area:
    51.10

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  13. ALA5208915

    Name:
    N-(6-oxo-1-phenyl-1,6-dihydropyridin-3-yl)-2-(o-to
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    Mol. Formula:
    C20H18N2O2

    M.W.:
    318.38

    Type:
    ---

    AlogP:
    3.33

    Polar Surface Area:
    51.10

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  14. ALA5207973

    Name:
    5-[(2,6-Difluoro-3,5-dimethoxyphenyl)methoxy]-N-{3
    Show More

    Mol. Formula:
    C30H38F2N6O3

    M.W.:
    568.67

    Type:
    ---

    AlogP:
    4.62

    Polar Surface Area:
    75.22

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  15. ALA5206671

    Name:
    2-(2-Chlorophenyl)-N-(6-oxo-1-phenyl-1,6-dihydropy
    Show More

    Mol. Formula:
    C19H15ClN2O2

    M.W.:
    338.79

    Type:
    ---

    AlogP:
    3.67

    Polar Surface Area:
    51.10

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  16. ALA5206147

    Name:
    5-[(2,6-Difluoro-3,5-dimethoxyphenyl)methoxy]-N-{3
    Show More

    Mol. Formula:
    C29H35F3N6O3

    M.W.:
    572.63

    Type:
    ---

    AlogP:
    4.45

    Polar Surface Area:
    75.22

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  17. ALA5204767

    Name:
    2-(3-Bromophenyl)-N-(6-oxo-1-phenyl-1,6-dihydropyr
    Show More

    Mol. Formula:
    C19H15BrN2O2

    M.W.:
    383.25

    Type:
    ---

    AlogP:
    3.78

    Polar Surface Area:
    51.10

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  18. ALA5203110

    Name:
    N-(6-Oxo-1-phenyl-1,6-dihydropyridin-3-yl)-2-(2,4,
    Show More

    Mol. Formula:
    C19H13F3N2O2

    M.W.:
    358.32

    Type:
    ---

    AlogP:
    3.44

    Polar Surface Area:
    51.10

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  19. ALA5201061

    Name:
    5-[(2,6-Difluoro-3,5-dimethoxyphenyl)methoxy]-N-{1
    Show More

    Mol. Formula:
    C22H30Cl3F2N7O3

    M.W.:
    584.88

    Type:
    ---

    AlogP:
    2.20

    Polar Surface Area:
    98.59

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  20. ALA5200755

    Name:
    N-(6-Oxo-1-phenyl-1,6-dihydropyridin-3-yl)-2-(p-to
    Show More

    Mol. Formula:
    C20H18N2O2

    M.W.:
    318.38

    Type:
    ---

    AlogP:
    3.33

    Polar Surface Area:
    51.10

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
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