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  1. ALA5278258

    Name:
    Aquastatin A

    Mol. Formula:
    C37H54O12

    M.W.:
    690.83

    Type:
    ---

    AlogP:
    5.53

    Polar Surface Area:
    203.44

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    4

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  2. ALA5276897

    Name:
    2-chloro-3-[(2-chloro-6-methyl-phenyl)methyl]-1-(2-thienylmethyl)pyridin-4-Show More

    Mol. Formula:
    C18H15Cl2NOS

    M.W.:
    364.30

    Type:
    ---

    AlogP:
    5.16

    Polar Surface Area:
    22.00

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  3. ALA5274978

    Name:
    2-chloro-3-[(2-chloro-6-methyl-phenyl)methyl]-1-[(3-chlorophenyl)methyl]pyrShow More

    Mol. Formula:
    C20H16Cl3NO

    M.W.:
    392.71

    Type:
    ---

    AlogP:
    5.76

    Polar Surface Area:
    22.00

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  4. ALA5273284

    Name:
    7-[(E)-3-oxo-3-(5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)pShow More

    Mol. Formula:
    C24H24N4O2

    M.W.:
    400.48

    Type:
    ---

    AlogP:
    2.70

    Polar Surface Area:
    74.33

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  5. ALA5291446

    Name:
    7-[(E)-3-[(3aR,6aS)-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-Show More

    Mol. Formula:
    C24H24N4O2

    M.W.:
    400.48

    Type:
    ---

    AlogP:
    2.70

    Polar Surface Area:
    74.33

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  6. ALA5269135

    Name:
    5-methoxy-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cycShow More

    Mol. Formula:
    C26H26N6O3

    M.W.:
    470.53

    Type:
    ---

    AlogP:
    3.05

    Polar Surface Area:
    102.24

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  7. ALA5268904

    Name:
    6-[(E)-3-oxo-3-[5-(3-thienyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2Show More

    Mol. Formula:
    C21H19N3O3S

    M.W.:
    393.47

    Type:
    ---

    AlogP:
    3.78

    Polar Surface Area:
    71.53

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  8. ALA5268393

    Name:
    Complestatin

    Mol. Formula:
    C61H45Cl6N7O15

    M.W.:
    1328.78

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA5283864

    Name:
    (Z)-14-methylpentadec-9-enoic acid

    Mol. Formula:
    C16H30O2

    M.W.:
    254.41

    Type:
    ---

    AlogP:
    5.18

    Polar Surface Area:
    37.30

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  10. ALA5283342

    Name:
    (Z)-15-methylhexadec-9-enoic acid

    Mol. Formula:
    C17H32O2

    M.W.:
    268.44

    Type:
    ---

    AlogP:
    5.57

    Polar Surface Area:
    37.30

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  11. ALA4218400

    Name:
    rac-N-(4-(2-(3-(benzo[d][1,3]dioxol-5-yl)pyrrolidin-1-yl)-2-oxoethyl)phenylShow More

    Mol. Formula:
    C21H22N2O4

    M.W.:
    366.42

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    67.87

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  12. ALA4218049

    Name:
    rac-1-(3-(benzo[d][1,3]dioxol-5-yl)pyrrolidin-1-yl)-2-(2,3-difluorophenyl)eShow More

    Mol. Formula:
    C19H17F2NO3

    M.W.:
    345.35

    Type:
    Small molecule

    AlogP:
    3.25

    Polar Surface Area:
    38.77

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  13. ALA4217928

    Name:
    rac-N-(5-(3-oxo-3-(3-(pyridin-2-yl)pyrrolidin-1-yl)prop-1-enyl)pyridin-2-ylShow More

    Mol. Formula:
    C19H20N4O2

    M.W.:
    336.40

    Type:
    Small molecule

    AlogP:
    2.46

    Polar Surface Area:
    75.19

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  14. ALA4217867

    Name:
    rac-N-(4-(2-(3-(4-methoxyphenyl)pyrrolidin-1-yl)-2-oxoethyl)phenyl)acetamidShow More

    Mol. Formula:
    C21H24N2O3

    M.W.:
    352.43

    Type:
    Small molecule

    AlogP:
    3.21

    Polar Surface Area:
    58.64

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  15. ALA4217852

    Name:
    rac-N-(5-(3-(3-(4-methoxyphenyl)pyrrolidin-1-yl)-3-oxoprop-1-enyl)pyridin-2Show More

    Mol. Formula:
    C21H23N3O3

    M.W.:
    365.43

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    71.53

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  16. ALA4216771

    Name:
    rac-1-(3-(benzo[d][1,3]dioxol-5-yl)pyrrolidin-1-yl)-2-(2-fluorophenyl)ethanShow More

    Mol. Formula:
    C19H18FNO3

    M.W.:
    327.36

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    38.77

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  17. ALA4214922

    Name:
    rac-N-(4-(2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl)phenyl)acetamide

    Mol. Formula:
    C20H22N2O2

    M.W.:
    322.41

    Type:
    Small molecule

    AlogP:
    3.20

    Polar Surface Area:
    49.41

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  18. ALA4214096

    Name:
    rac-N-(5-(3-(3-(2-methoxyphenyl)pyrrolidin-1-yl)-3-oxoprop-1-enyl)pyridin-2Show More

    Mol. Formula:
    C21H23N3O3

    M.W.:
    365.43

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    71.53

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  19. ALA4213757

    Name:
    rac-N-(4-(3-(3-(2-methoxyphenyl)pyrrolidin-1-yl)-3-oxoprop-1-enyl)phenyl)acShow More

    Mol. Formula:
    C22H24N2O3

    M.W.:
    364.45

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    58.64

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  20. ALA4213468

    Name:
    rac-N-(4-(2-(3-(2-methoxyphenyl)pyrrolidin-1-yl)-2-oxoethyl)phenyl)acetamidShow More

    Mol. Formula:
    C21H24N2O3

    M.W.:
    352.43

    Type:
    Small molecule

    AlogP:
    3.21

    Polar Surface Area:
    58.64

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
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