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  1. ALA4249515

    Name:
    (2S,5R,6R)-6-((2R)-2-(6-(4-hydroxy-5-isobutyl-2-oxo-2,5-dihydro-1H-pyrrole-Show More

    Mol. Formula:
    C31H41N5O8S

    M.W.:
    643.76

    Type:
    Small molecule

    AlogP:
    1.51

    Polar Surface Area:
    194.24

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  2. ALA4247419

    Name:
    (6R,7R)-7-((2R)-2-(4-hydroxy-5-isobutyl-2-oxo-2,5-dihydro-1H-pyrrole-3-carbShow More

    Mol. Formula:
    C25H28N4O7S

    M.W.:
    528.59

    Type:
    Small molecule

    AlogP:
    0.96

    Polar Surface Area:
    165.14

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  3. ALA4245716

    Name:
    (2S,5R,6R)-6-((2R)-2-(3-(4-hydroxy-5-isobutyl-2-oxo-2,5-dihydro-1H-pyrrole-Show More

    Mol. Formula:
    C28H35N5O8S

    M.W.:
    601.68

    Type:
    Small molecule

    AlogP:
    0.34

    Polar Surface Area:
    194.24

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  4. ALA4242024

    Name:
    (6R,7R)-7-(3-(2-hydroxy-5-isobutyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxamiShow More

    Mol. Formula:
    C20H26N4O7S

    M.W.:
    466.52

    Type:
    Small molecule

    AlogP:
    -0.39

    Polar Surface Area:
    165.14

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  5. ALA4241488

    Name:
    (2S,5R,6R)-6-((2R)-2-(4-(4-hydroxy-5-isobutyl-2-oxo-2,5-dihydro-1H-pyrrole-Show More

    Mol. Formula:
    C29H37N5O8S

    M.W.:
    615.71

    Type:
    Small molecule

    AlogP:
    0.73

    Polar Surface Area:
    194.24

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  6. ALA4240608

    Name:
    (6R,7R)-3-chloro-7-((2R)-2-(3-(4-hydroxy-5-isobutyl-2-oxo-2,5-dihydro-1H-pyShow More

    Mol. Formula:
    C27H30ClN5O8S

    M.W.:
    620.08

    Type:
    Small molecule

    AlogP:
    0.64

    Polar Surface Area:
    194.24

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  7. ALA4237839

    Name:
    (6R,7R)-7-((2R)-2-(3-(4-hydroxy-5-isobutyl-2-oxo-2,5-dihydro-1H-pyrrole-3-cShow More

    Mol. Formula:
    C28H33N5O8S

    M.W.:
    599.67

    Type:
    Small molecule

    AlogP:
    0.47

    Polar Surface Area:
    194.24

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  8. ALA4237751

    Name:
    6-(2-(4-hydroxy-5-isobutyl-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxamido)-2-phShow More

    Mol. Formula:
    C25H30N4O7S

    M.W.:
    530.60

    Type:
    Small molecule

    AlogP:
    0.83

    Polar Surface Area:
    165.14

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  9. ALA3313964

    Name:
    rac-2-[({2-[4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7Show More

    Mol. Formula:
    C25H27FN4O10

    M.W.:
    562.51

    Type:
    Small molecule

    AlogP:
    -0.38

    Polar Surface Area:
    206.78

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  10. ALA2337300

    Name:
    Axistatin 2

    Mol. Formula:
    C26H41N5O

    M.W.:
    439.65

    Type:
    Small molecule

    AlogP:
    5.59

    Polar Surface Area:
    84.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  11. ALA2337299

    Name:
    Axistatin 1

    Mol. Formula:
    C26H41N5O

    M.W.:
    439.65

    Type:
    Small molecule

    AlogP:
    5.59

    Polar Surface Area:
    84.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  12. ALA2337298

    Name:
    Axistatin 3

    Mol. Formula:
    C29H47N5O

    M.W.:
    481.73

    Type:
    Small molecule

    AlogP:
    7.14

    Polar Surface Area:
    70.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  13. ALA2337297

    Name:
    N-(4-amino-6-(methylamino)pyrimidin-5-yl)-N-(3,7-dimethyl-9-((1R,6S)-1,2,6-Show More

    Mol. Formula:
    C26H41N5O

    M.W.:
    439.65

    Type:
    Small molecule

    AlogP:
    5.90

    Polar Surface Area:
    84.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  14. ALA2314592

    Name:
    3-(4-chlorophenyl)-5-((3-fluoro-4-morpholinophenyl)(hydroxy)methyl)-4-methoShow More

    Mol. Formula:
    C22H21ClFNO5

    M.W.:
    433.86

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    68.23

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  15. ALA1632112

    Name:
    N-(3-(5-ethylbenzo[d]oxazol-2-yl)phenyl)-5-nitrofuran-2-carboxamide

    Mol. Formula:
    C20H15N3O5

    M.W.:
    377.36

    Type:
    Small molecule

    AlogP:
    4.81

    Polar Surface Area:
    111.41

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  16. ALA524865

    Name:
    Lys-AL-1Nal-KTMLKKLGTMAL-NH2

    Mol. Formula:
    C87H151N21O18S2

    M.W.:
    1843.43

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA90249

    Name:
    3-Bromo-6-methoxy-benzene-1,2-diol

    Mol. Formula:
    C7H7BrO3

    M.W.:
    219.03

    Type:
    Small molecule

    AlogP:
    1.87

    Polar Surface Area:
    49.69

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.71

    DETAILS
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