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  1. Filixic acid ABA

    Name:
    Filixic acid ABA

    Mol. Formula:
    C32H36O12

    M.W.:
    612.63

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    226.96

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  2. ALA4097168

    Name:
    Wallichin B

    Mol. Formula:
    C42H54O10

    M.W.:
    718.88

    Type:
    Small molecule

    AlogP:
    8.34

    Polar Surface Area:
    178.66

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  3. ALA4096461

    Name:
    Wallichin A

    Mol. Formula:
    C42H54O10

    M.W.:
    718.88

    Type:
    Small molecule

    AlogP:
    8.34

    Polar Surface Area:
    178.66

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  4. ALA4079952

    Name:
    Albaspidin AB

    Mol. Formula:
    C22H26O9

    M.W.:
    434.44

    Type:
    Small molecule

    AlogP:
    2.53

    Polar Surface Area:
    169.43

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  5. ALA4069967

    Name:
    Wallichin C

    Mol. Formula:
    C43H56O9

    M.W.:
    716.91

    Type:
    Small molecule

    AlogP:
    8.94

    Polar Surface Area:
    158.43

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  6. ALA4069217

    Name:
    Filixic acid ABB

    Mol. Formula:
    C34H40O12

    M.W.:
    640.68

    Type:
    Small molecule

    AlogP:
    5.30

    Polar Surface Area:
    226.96

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    4

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  7. ALA4066509

    Name:
    Albaspidin AA

    Mol. Formula:
    C20H22O9

    M.W.:
    406.39

    Type:
    Small molecule

    AlogP:
    1.75

    Polar Surface Area:
    169.43

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  8. ALA3277008

    Name:
    5-Phenyl-3-(trifluoromethyl)isoxazole

    Mol. Formula:
    C10H6F3NO

    M.W.:
    213.16

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    26.03

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  9. ALA3277007

    Name:
    3-Iodo-5-phenylisoxazole

    Mol. Formula:
    C9H6INO

    M.W.:
    271.06

    Type:
    Small molecule

    AlogP:
    2.95

    Polar Surface Area:
    26.03

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.75

    DETAILS
  10. ALA3277006

    Name:
    5-(4-chlorophenyl)isoxazol-3-ol

    Mol. Formula:
    C9H6ClNO2

    M.W.:
    195.60

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    46.26

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.76

    DETAILS
  11. 5-(4-Chlorophenyl)isoxazole

    Name:
    5-(4-chlorophenyl)isoxazole

    Mol. Formula:
    C9H6ClNO

    M.W.:
    179.61

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    26.03

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.67

    DETAILS
  12. ALA3277004

    Name:
    3-bromo-5-(4-chlorophenyl)isoxazole

    Mol. Formula:
    C9H5BrClNO

    M.W.:
    258.50

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    26.03

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  13. 3-Bromo-5-phenyl-1,2-oxazole

    Name:
    3-bromo-5-phenylisoxazole

    Mol. Formula:
    C9H6BrNO

    M.W.:
    224.06

    Type:
    Small molecule

    AlogP:
    3.10

    Polar Surface Area:
    26.03

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  14. ALA3277002

    Name:
    3-chloro-5-(thiophen-2-yl)isoxazole

    Mol. Formula:
    C7H4ClNOS

    M.W.:
    185.63

    Type:
    Small molecule

    AlogP:
    3.06

    Polar Surface Area:
    26.03

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  15. ALA3277001

    Name:
    3-Chloro-5-(4-chloro-3-nitrophenyl)isoxazole

    Mol. Formula:
    C9H4Cl2N2O3

    M.W.:
    259.05

    Type:
    Small molecule

    AlogP:
    3.56

    Polar Surface Area:
    69.17

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  16. ALA3277000

    Name:
    3-Chloro-5-(4-nitrophenyl)isoxazole

    Mol. Formula:
    C9H5ClN2O3

    M.W.:
    224.60

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    69.17

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  17. ALA3276999

    Name:
    3-chloro-5-p-tolylisoxazole

    Mol. Formula:
    C10H8ClNO

    M.W.:
    193.63

    Type:
    Small molecule

    AlogP:
    3.30

    Polar Surface Area:
    26.03

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  18. ALA3276998

    Name:
    3-chloro-5-(3,4-dichlorophenyl)isoxazole

    Mol. Formula:
    C9H4Cl3NO

    M.W.:
    248.50

    Type:
    Small molecule

    AlogP:
    4.30

    Polar Surface Area:
    26.03

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  19. ALA3276997

    Name:
    3-chloro-5-(2,4-dichlorophenyl)isoxazole

    Mol. Formula:
    C9H4Cl3NO

    M.W.:
    248.50

    Type:
    Small molecule

    AlogP:
    4.30

    Polar Surface Area:
    26.03

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  20. ALA3276996

    Name:
    3-chloro-5-(4-chlorophenyl)isoxazole

    Mol. Formula:
    C9H5Cl2NO

    M.W.:
    214.05

    Type:
    Small molecule

    AlogP:
    3.65

    Polar Surface Area:
    26.03

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
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