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  1. ALA4208995

    Name:
    (+/-)-Tatarinoid D; (3R*,4R*,5R*)-5-(3,4-dimethoxyphenyl)tetrahydro-4-(methShow More

    Mol. Formula:
    C22H26O6

    M.W.:
    386.44

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    63.22

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  2. ALA2287242

    Name:
    beta-Selinene

    Mol. Formula:
    C15H24

    M.W.:
    204.36

    Type:
    Small molecule

    AlogP:
    4.73

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  3. ALA2287241

    Name:
    alpha-Elemol

    Mol. Formula:
    C15H26O

    M.W.:
    222.37

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  4. ALA2270891

    Name:
    (2-(2,3,4-trifluorophenylimino)thiazolidine-4,4-diyl)dimethanol

    Mol. Formula:
    C11H11F3N2O2S

    M.W.:
    292.28

    Type:
    Small molecule

    AlogP:
    1.15

    Polar Surface Area:
    64.85

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  5. ALA2270890

    Name:
    (2-(2,3,4-trifluorophenylimino)oxazolidine-4,4-diyl)dimethanol

    Mol. Formula:
    C11H11F3N2O3

    M.W.:
    276.21

    Type:
    Small molecule

    AlogP:
    0.43

    Polar Surface Area:
    74.08

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  6. ALA2270889

    Name:
    (2-(3-chloro-4-fluorophenylimino)thiazolidine-4,4-diyl)dimethanol

    Mol. Formula:
    C11H12ClFN2O2S

    M.W.:
    290.75

    Type:
    Small molecule

    AlogP:
    1.53

    Polar Surface Area:
    64.85

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  7. ALA2270665

    Name:
    (2-(3-chloro-4-fluorophenylimino)oxazolidine-4,4-diyl)dimethanol

    Mol. Formula:
    C11H12ClFN2O3

    M.W.:
    274.68

    Type:
    Small molecule

    AlogP:
    0.81

    Polar Surface Area:
    74.08

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  8. ALA2270664

    Name:
    (2-(2,4-difluorophenylimino)thiazolidine-4,4-diyl)dimethanol

    Mol. Formula:
    C11H12F2N2O2S

    M.W.:
    274.29

    Type:
    Small molecule

    AlogP:
    1.01

    Polar Surface Area:
    64.85

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  9. ALA2270663

    Name:
    (2-(2,4-difluorophenylimino)oxazolidine-4,4-diyl)dimethanol

    Mol. Formula:
    C11H12F2N2O3

    M.W.:
    258.22

    Type:
    Small molecule

    AlogP:
    0.30

    Polar Surface Area:
    74.08

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  10. ALA2270662

    Name:
    (2-(4-fluorophenylimino)thiazolidine-4,4-diyl)dimethanol

    Mol. Formula:
    C11H13FN2O2S

    M.W.:
    256.30

    Type:
    Small molecule

    AlogP:
    0.87

    Polar Surface Area:
    64.85

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  11. ALA2270661

    Name:
    (2-(4-fluorophenylimino)oxazolidine-4,4-diyl)dimethanol

    Mol. Formula:
    C11H13FN2O3

    M.W.:
    240.23

    Type:
    Small molecule

    AlogP:
    0.16

    Polar Surface Area:
    74.08

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  12. ALA2270660

    Name:
    (2-(2-fluorophenylimino)thiazolidine-4,4-diyl)dimethanol

    Mol. Formula:
    C11H13FN2O2S

    M.W.:
    256.30

    Type:
    Small molecule

    AlogP:
    0.87

    Polar Surface Area:
    64.85

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  13. ALA2270659

    Name:
    (2-(2-fluorophenylimino)oxazolidine-4,4-diyl)dimethanol

    Mol. Formula:
    C11H13FN2O3

    M.W.:
    240.23

    Type:
    Small molecule

    AlogP:
    0.16

    Polar Surface Area:
    74.08

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  14. Ethylene glycol diformate

    Name:
    ethylene glycol diformate

    Mol. Formula:
    C4H6O4

    M.W.:
    118.09

    Type:
    Small molecule

    AlogP:
    -0.67

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  15. ALA2270394

    Name:
    butyl formate

    Mol. Formula:
    C5H10O2

    M.W.:
    102.13

    Type:
    Small molecule

    AlogP:
    0.96

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  16. Propyl formate

    Name:
    propylformate

    Mol. Formula:
    C4H8O2

    M.W.:
    88.11

    Type:
    Small molecule

    AlogP:
    0.57

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.37

    DETAILS
  17. ALA2270392

    Name:
    heptyl formate

    Mol. Formula:
    C8H16O2

    M.W.:
    144.21

    Type:
    Small molecule

    AlogP:
    2.13

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  18. ALA2270391

    Name:
    hexyl formate

    Mol. Formula:
    C7H14O2

    M.W.:
    130.19

    Type:
    Small molecule

    AlogP:
    1.74

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  19. ALA2268881

    Name:
    alpha-dunnione

    Mol. Formula:
    C15H14O3

    M.W.:
    242.27

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.70

    DETAILS
  20. ALA2268864

    Name:
    (-)-10-epi-alpha-cyperone

    Mol. Formula:
    C15H22O

    M.W.:
    218.34

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
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