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  1. ALA4276804

    Name:
    (6R,9S,12S,15S,18S,21S,24R)-9-((1H-imidazol-5-yl)methyl)-21-((acetamidomethShow More

    Mol. Formula:
    C106H177N27O20S2

    M.W.:
    2213.89

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA1631459

    Name:
    2-(4-Hydroxy-phenylamino)-[1,4]naphthoquinone

    Mol. Formula:
    C16H11NO3

    M.W.:
    265.27

    Type:
    Small molecule

    AlogP:
    2.77

    Polar Surface Area:
    66.40

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  3. ALA559058

    Name:
    N-(2-methyl-5-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenylcarbaShow More

    Mol. Formula:
    C23H18F3N5O3

    M.W.:
    469.42

    Type:
    Small molecule

    AlogP:
    5.00

    Polar Surface Area:
    102.05

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  4. ALA552425

    Name:
    5-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)phenylamino)nicotinamide

    Mol. Formula:
    C21H17F3N4O2

    M.W.:
    414.39

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    97.11

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  5. ALA508295

    Name:
    TNYLFSPNGPIARAW

    Mol. Formula:
    C80H115N21O21

    M.W.:
    1706.93

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA504627

    Name:
    SNQWIGPALPQH

    Mol. Formula:
    C61H90N18O17

    M.W.:
    1347.50

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA505364

    Name:
    SNQWISPRLPQH

    Mol. Formula:
    C65H99N21O18

    M.W.:
    1462.64

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA453443

    Name:
    SNQWILPRLPQH

    Mol. Formula:
    C68H105N21O17

    M.W.:
    1488.72

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA451203

    Name:
    SNEWIQPHLPQH

    Mol. Formula:
    C67H96N20O19

    M.W.:
    1485.63

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA504700

    Name:
    SNEWIQPALPQH

    Mol. Formula:
    C64H94N18O19

    M.W.:
    1419.56

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA508644

    Name:
    SNEWIQPKLPQH

    Mol. Formula:
    C67H101N19O19

    M.W.:
    1476.66

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA526325

    Name:
    SNEWILPRLPQH

    Mol. Formula:
    C68H104N20O18

    M.W.:
    1489.70

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA526907

    Name:
    SNEWISPRLPQH

    Mol. Formula:
    C65H98N20O19

    M.W.:
    1463.62

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA525059

    Name:
    SNQWIQPRLPQH

    Mol. Formula:
    C67H102N22O18

    M.W.:
    1503.69

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA448652

    Name:
    SNEWIQPRLPQH

    Mol. Formula:
    C67H101N21O19

    M.W.:
    1504.67

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA362958

    Name:
    [2-(3H-Indol-3-yl)-ethyl]-(9H-purin-6-yl)-amine

    Mol. Formula:
    C15H14N6

    M.W.:
    278.32

    Type:
    Small molecule

    AlogP:
    2.61

    Polar Surface Area:
    78.85

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  17. ALA192233

    Name:
    (4-Difluoromethoxy-phenyl)-(9H-purin-6-yl)-amine

    Mol. Formula:
    C12H9F2N5O

    M.W.:
    277.23

    Type:
    Small molecule

    AlogP:
    2.65

    Polar Surface Area:
    75.72

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  18. ALA365356

    Name:
    (9H-Purin-6-yl)-pyridin-2-ylmethyl-amine

    Mol. Formula:
    C11H10N6

    M.W.:
    226.24

    Type:
    Small molecule

    AlogP:
    1.31

    Polar Surface Area:
    79.38

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  19. ALA192767

    Name:
    (3-Imidazol-1-yl-propyl)-(9H-purin-6-yl)-amine

    Mol. Formula:
    C11H13N7

    M.W.:
    243.27

    Type:
    Small molecule

    AlogP:
    1.00

    Polar Surface Area:
    84.31

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  20. ALA193891

    Name:
    3-(4-Methoxy-phenyl)-1-[2-(2-methyl-1H-indol-3-yl)-ethyl]-1-pyridin-4-ylmetShow More

    Mol. Formula:
    C25H26N4OS

    M.W.:
    430.58

    Type:
    Small molecule

    AlogP:
    5.32

    Polar Surface Area:
    53.18

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
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