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  1. ALA1093699

    Name:
    (S)-N-(4-(cyclohexylmethoxy)-5-fluoro-2-methoxyben
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    Mol. Formula:
    C20H29FN2O3

    M.W.:
    364.46

    Type:
    Small molecule

    AlogP:
    3.16

    Polar Surface Area:
    59.59

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  2. ALA1093698

    Name:
    (S)-N-(3,5-difluoro-4-((1s,4s)-4-methylcyclohexylo
    Show More

    Mol. Formula:
    C19H26F2N2O2

    M.W.:
    352.43

    Type:
    Small molecule

    AlogP:
    3.29

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  3. ALA1091106

    Name:
    (S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob
    Show More

    Cas Number:
    1224048-10-5

    Mol. Formula:
    C20H28F2N2O2

    M.W.:
    366.45

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  4. Type:
    Small molecule

    AlogP:
    3.55

    Polar Surface Area:
    59.59

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  5. ALA1091104

    Name:
    (S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami
    Show More

    Mol. Formula:
    C19H22N2O2

    M.W.:
    310.40

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  6. ALA1090757

    Name:
    (S)-N-(4-(3-fluorophenoxy)benzyl)pyrrolidine-2-car
    Show More

    Mol. Formula:
    C18H19FN2O2

    M.W.:
    314.36

    Type:
    Small molecule

    AlogP:
    2.99

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  7. ALA1092167

    Name:
    (S)-N-((3',5'-dichlorobiphenyl-4-yl)methyl)pyrroli
    Show More

    Mol. Formula:
    C18H18Cl2N2O

    M.W.:
    349.26

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    41.13

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  8. ALA1092029

    Name:
    (S)-N-(4-cyclohexylbenzyl)pyrrolidine-2-carboxamid
    Show More

    Mol. Formula:
    C18H26N2O

    M.W.:
    286.42

    Type:
    Small molecule

    AlogP:
    3.10

    Polar Surface Area:
    41.13

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  9. ALA1090720

    Name:
    3-(aminomethyl)-N-(4-(trifluoromethoxy)benzyl)benz
    Show More

    Mol. Formula:
    C16H15F3N2O2

    M.W.:
    324.30

    Type:
    Small molecule

    AlogP:
    2.97

    Polar Surface Area:
    64.35

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  10. ALA1090400

    Name:
    N-(4-(trifluoromethoxy)benzyl)pyrrolidine-3-carbox
    Show More

    Mol. Formula:
    C13H15F3N2O2

    M.W.:
    288.27

    Type:
    Small molecule

    AlogP:
    1.81

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  11. ALA1090399

    Name:
    (S)-N-(4-(trifluoromethoxy)benzyl)pyrrolidine-2-ca
    Show More

    Mol. Formula:
    C13H15F3N2O2

    M.W.:
    288.27

    Type:
    Small molecule

    AlogP:
    1.95

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  12. ALA1090398

    Name:
    (2S,6R)-benzyl 2,6-dimethylpiperazine-1-carboxylat
    Show More

    Cas Number:
    771469-22-8

    Mol. Formula:
    C14H20N2O2

    M.W.:
    248.33

    Type:
    Small molecule

    AlogP:
    2.01

    Polar Surface Area:
    41.57

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.87

    DETAILS
  13. ALA1090397

    Name:
    N-((4'-chloro-3-fluorobiphenyl-4-yl)methyl)piperaz
    Show More

    Mol. Formula:
    C18H19ClFN3O

    M.W.:
    347.82

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    44.37

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  14. ALA1091452

    Name:
    (2S,6R)-4-((3,5-dimethylisoxazol-4-yl)methoxy)-2,6
    Show More

    Mol. Formula:
    C20H25F2N3O4

    M.W.:
    409.43

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    76.83

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  15. ALA1079079

    Name:
    [125I]1-(2-iodophenyl)-4-cyano-5-(4-methoxyphenyl)
    Show More

    Mol. Formula:
    C23H22IN5O2

    M.W.:
    525.37

    Type:
    Small molecule

    AlogP:
    4.15

    Polar Surface Area:
    83.18

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  16. ALA4790992

    Name:
    (+)-(2-(5-(Allyloxy)benzofuran-4-yl)cyclopropyl)-m
    Show More

    Mol. Formula:
    C15H18ClNO2

    M.W.:
    279.77

    Type:
    Unknown

    AlogP:
    3.06

    Polar Surface Area:
    48.39

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  17. ALA4790652

    Name:
    (+)-(2-(5-Ethoxy-2,3-dihydrobenzofuran-4-yl)cyclop
    Show More

    Mol. Formula:
    C14H20ClNO2

    M.W.:
    269.77

    Type:
    Unknown

    AlogP:
    2.08

    Polar Surface Area:
    44.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  18. ALA4790145

    Name:
    N-(2-(2-(Cyclopropylmethyl)-6-methoxyquinazolin-4-
    Show More

    Mol. Formula:
    C16H19N3O2

    M.W.:
    285.35

    Type:
    Unknown

    AlogP:
    2.19

    Polar Surface Area:
    64.11

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  19. ALA3735261

    Name:
    N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-N-(3,4-dimet
    Show More

    Mol. Formula:
    C31H39NO7

    M.W.:
    537.65

    Type:
    Small molecule

    AlogP:
    5.18

    Polar Surface Area:
    67.85

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  20. ALA3735434

    Name:
    N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-N-(3,4-dimet
    Show More

    Mol. Formula:
    C30H37NO6

    M.W.:
    507.63

    Type:
    Small molecule

    AlogP:
    5.17

    Polar Surface Area:
    58.62

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
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