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  1. ALA3145429

    Name:
    1-(1H-benzo[d]imidazol-2-yl)-4-benzyl-3-methyl-1H-
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    Mol. Formula:
    C18H16N4O

    M.W.:
    304.35

    Type:
    Small molecule

    AlogP:
    2.94

    Polar Surface Area:
    66.47

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  2. ALA3145427

    Name:
    3,4-dimethyl-1-(5-methyl-1H-benzo[d]imidazol-2-yl)
    Show More

    Mol. Formula:
    C13H14N4O

    M.W.:
    242.28

    Type:
    Small molecule

    AlogP:
    1.97

    Polar Surface Area:
    66.47

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  3. ALA3133725

    Name:
    (5aS,5bS,8aS,9aR)-1,2-Dichloro-8-ethyl-8a-hydroxy-
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    Mol. Formula:
    C13H14Cl2N4O3

    M.W.:
    345.19

    Type:
    Small molecule

    AlogP:
    0.95

    Polar Surface Area:
    86.60

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  4. ALA3133724

    Name:
    (5aS,5bS,8aS,9aR)-1-Chloro-8-ethyl-8a-hydroxy-5,5a
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    Mol. Formula:
    C13H15ClN4O3

    M.W.:
    310.74

    Type:
    Small molecule

    AlogP:
    0.30

    Polar Surface Area:
    86.60

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  5. ALA3133723

    Name:
    (5aS,5bS,8aS,9aR)-1-Chloro-8a-hydroxy-8-methyl-5,5
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    Mol. Formula:
    C12H13ClN4O3

    M.W.:
    296.71

    Type:
    Small molecule

    AlogP:
    -0.09

    Polar Surface Area:
    86.60

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  6. ALA2324953

    Name:
    NPY-BBB0

    Mol. Formula:
    C84H136N28O20

    M.W.:
    1858.19

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA2029401

    Name:
    32-(8-(6-(4-[18F]Fluorobenzamido)hexanoyl)-8,9-dih
    Show More

    Mol. Formula:
    C50H67FN6O14

    M.W.:
    994.11

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    229.59

    HBA:
    16

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    38

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  8. ALA2029400

    Name:
    ADIBO-[18F]Fluorobenzamide

    Mol. Formula:
    C28H25FN2O2

    M.W.:
    439.52

    Type:
    Small molecule

    AlogP:
    5.06

    Polar Surface Area:
    49.41

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  9. ALA4095482

    Name:
    (S)-2-((S)-1-((S)-2-((S)-2-((S)-3-(1H-indol-3-yl)-
    Show More

    Mol. Formula:
    C45H57N13O7S

    M.W.:
    924.10

    Type:
    Small molecule

    AlogP:
    1.28

    Polar Surface Area:
    329.39

    HBA:
    9

    HBD:
    13

    #RO5 Violations:
    2

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  10. ALA4078974

    Name:
    (S)-2-((S)-3-(1H-indol-3-yl)-2-(2-(thiophen-2-yl)a
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    Mol. Formula:
    C28H26N4O4S

    M.W.:
    514.61

    Type:
    Small molecule

    AlogP:
    3.79

    Polar Surface Area:
    127.08

    HBA:
    4

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  11. ALA4072413

    Name:
    (S)-2-((S)-2-((S)-1-((S)-2-((S)-2-((S)-3-(1H-indol
    Show More

    Mol. Formula:
    C49H64N16O8S

    M.W.:
    1037.22

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA3425599

    Name:
    (S)-2-((S)-3-(1H-indol-3-yl)-2-(2-(thiophen-2-yl)a
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    Mol. Formula:
    C26H25N3O4S

    M.W.:
    475.57

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    111.29

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  13. ALA3425598

    Name:
    (S)-2-((S)-1-((S)-2-((S)-2-((S)-3-(1H-indol-3-yl)-
    Show More

    Mol. Formula:
    C43H56N12O7S

    M.W.:
    885.06

    Type:
    Small molecule

    AlogP:
    0.80

    Polar Surface Area:
    313.60

    HBA:
    9

    HBD:
    12

    #RO5 Violations:
    2

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  14. ALA3425597

    Name:
    (S)-2-((S)-4-methyl-2-(3-phenylpropanamido)pentana
    Show More

    Mol. Formula:
    C24H30N2O4

    M.W.:
    410.51

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    95.50

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  15. ALA3425596

    Name:
    (S)-2-((S)-1-((6S,9S,12S)-1-amino-9-benzyl-1-imino
    Show More

    Mol. Formula:
    C41H61N11O7

    M.W.:
    820.01

    Type:
    Small molecule

    AlogP:
    0.45

    Polar Surface Area:
    297.81

    HBA:
    8

    HBD:
    11

    #RO5 Violations:
    2

    #Rotatable Bonds:
    24

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  16. ALA3425595

    Name:
    (S)-2-((S)-3-(1H-indol-3-yl)-2-(2-(thiophen-2-yl)a
    Show More

    Mol. Formula:
    C26H24FN3O4S

    M.W.:
    493.56

    Type:
    Small molecule

    AlogP:
    3.45

    Polar Surface Area:
    111.29

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  17. ALA3425594

    Name:
    (S)-2-((S)-1-((6S,9S,12S)-12-((1H-indol-3-yl)methy
    Show More

    Mol. Formula:
    C43H55FN12O7S

    M.W.:
    903.05

    Type:
    Small molecule

    AlogP:
    0.94

    Polar Surface Area:
    313.60

    HBA:
    9

    HBD:
    12

    #RO5 Violations:
    2

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  18. ALA3425590

    Name:
    (S)-2-((S)-2-((S)-1-((6S,9S,12S)-12-((1H-indol-3-y
    Show More

    Mol. Formula:
    C47H63N15O8S

    M.W.:
    998.18

    Type:
    Small molecule

    AlogP:
    -1.44

    Polar Surface Area:
    391.58

    HBA:
    11

    HBD:
    14

    #RO5 Violations:
    3

    #Rotatable Bonds:
    27

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  19. ALA3400964

    Name:
    (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[(3R)-3-a
    Show More

    Mol. Formula:
    C29H28Cl2FN5O6

    M.W.:
    632.48

    Type:
    Small molecule

    AlogP:
    3.87

    Polar Surface Area:
    138.73

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  20. ALA3400963

    Name:
    (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[(3R)-3-a
    Show More

    Mol. Formula:
    C29H29Cl2N5O6

    M.W.:
    614.49

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    138.73

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
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