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  1. ALA4536333

    Name:
    6-amino-N-((S)-1-(2-(N-((S)-1,6-diamino-1-oxohexan
    Show More

    Mol. Formula:
    C53H96N20O10S2

    M.W.:
    1237.61

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA4440335

    Name:
    6-amino-N-(2-((S)-2-(N-(2-aminoethyl)-5-((3aS,4S,6
    Show More

    Mol. Formula:
    C56H90F15N19O17S

    M.W.:
    1618.49

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA3188921

    Name:
    SID144089633

    Mol. Formula:
    C20H24N2O8S

    M.W.:
    452.49

    Type:
    Small molecule

    AlogP:
    0.17

    Polar Surface Area:
    136.15

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. ALA3188010

    Name:
    SID144097034

    Mol. Formula:
    C26H29N3O7

    M.W.:
    495.53

    Type:
    Small molecule

    AlogP:
    2.57

    Polar Surface Area:
    115.43

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  5. ALA3186042

    Name:
    SID144097197

    Mol. Formula:
    C23H28N4O5S

    M.W.:
    472.57

    Type:
    Small molecule

    AlogP:
    2.69

    Polar Surface Area:
    109.86

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  6. ALA3185799

    Name:
    SID144089635

    Mol. Formula:
    C23H23N3O4S

    M.W.:
    437.52

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    99.34

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  7. ALA3185439

    Name:
    SID121283576

    Cas Number:
    39863-14-4

    Mol. Formula:
    C13H10Br2O4S2

    M.W.:
    454.16

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    68.28

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  8. ALA3184374

    Name:
    SID144089634

    Mol. Formula:
    C17H22N2O4S

    M.W.:
    350.44

    Type:
    Small molecule

    AlogP:
    1.61

    Polar Surface Area:
    83.55

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  9. ALA3184030

    Name:
    SID144097032

    Mol. Formula:
    C27H34N4O5

    M.W.:
    494.59

    Type:
    Small molecule

    AlogP:
    3.48

    Polar Surface Area:
    109.00

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  10. ALA3183312

    Name:
    SID143472125

    Mol. Formula:
    C28H34F3N3O4

    M.W.:
    533.59

    Type:
    Small molecule

    AlogP:
    5.05

    Polar Surface Area:
    56.15

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  11. ALA3182580

    Name:
    SID144097095

    Cas Number:
    1446021-84-6

    Mol. Formula:
    C34H32N4O4

    M.W.:
    560.65

    Type:
    Small molecule

    AlogP:
    4.79

    Polar Surface Area:
    101.49

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  12. ALA3182202

    Name:
    SID121283577

    Cas Number:
    2394-04-9

    Mol. Formula:
    C13H10Br2O4S2

    M.W.:
    454.16

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    68.28

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  13. ALA449066

    Name:
    (2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS,Z)-10-hydro
    Show More

    Mol. Formula:
    C39H54O6

    M.W.:
    618.86

    Type:
    Small molecule

    AlogP:
    8.21

    Polar Surface Area:
    104.06

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  14. ALA503336

    Name:
    (4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS,E)-10-hydroxy-
    Show More

    Mol. Formula:
    C40H56O6

    M.W.:
    632.88

    Type:
    Small molecule

    AlogP:
    8.60

    Polar Surface Area:
    104.06

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  15. ALA506008

    Name:
    3-beta-hydroxy-27-p-(Z)-coumaroyloxyurs-12-en-28-o
    Show More

    Mol. Formula:
    C39H54O5

    M.W.:
    602.86

    Type:
    Small molecule

    AlogP:
    8.45

    Polar Surface Area:
    94.83

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  16. Type:
    Small molecule

    AlogP:
    8.45

    Polar Surface Area:
    94.83

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  17. ALA509592

    Name:
    3-beta-hydroxy-27-p-(Z)-coumaroyloxyolean-12-en-28
    Show More

    Mol. Formula:
    C39H54O5

    M.W.:
    602.86

    Type:
    Small molecule

    AlogP:
    8.59

    Polar Surface Area:
    94.83

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  18. ALA509753

    Name:
    3-beta-hydroxy-27-p-(E)-coumaroyloxyolean-12-en-28
    Show More

    Mol. Formula:
    C39H54O5

    M.W.:
    602.86

    Type:
    Small molecule

    AlogP:
    8.59

    Polar Surface Area:
    94.83

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  19. ALA505952

    Name:
    3-beta-hydroxy-27-(Z)-feruloyloxyurs-12-en-28-oic
    Show More

    Mol. Formula:
    C40H56O6

    M.W.:
    632.88

    Type:
    Small molecule

    AlogP:
    8.46

    Polar Surface Area:
    104.06

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  20. ALA446274

    Name:
    3-beta-hydroxy-27-(E)-feruloyloxyurs-12-en-28-oic
    Show More

    Mol. Formula:
    C40H56O6

    M.W.:
    632.88

    Type:
    Small molecule

    AlogP:
    8.46

    Polar Surface Area:
    104.06

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
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