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  1. ALA5271385

    Name:
    2-(3-(anthracen-9-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yShow More

    Mol. Formula:
    C37H28FN5O4

    M.W.:
    625.66

    Type:
    ---

    AlogP:
    7.14

    Polar Surface Area:
    112.83

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA5271183

    Name:

    Mol. Formula:
    C98H179N31O17S2+2

    M.W.:
    2127.84

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA5278625

    Name:
    Rosamultin

    Mol. Formula:
    C36H58O10

    M.W.:
    650.85

    Type:
    ---

    AlogP:
    2.43

    Polar Surface Area:
    177.14

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  4. ALA5285924

    Name:

    Mol. Formula:
    C18H19FN6OS

    M.W.:
    386.46

    Type:
    ---

    AlogP:
    1.99

    Polar Surface Area:
    89.07

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  5. ALA5219808

    Name:
    Xanthochymusone I

    Mol. Formula:
    C38H48O6

    M.W.:
    600.80

    Type:
    ---

    AlogP:
    8.37

    Polar Surface Area:
    100.90

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  6. ALA5219758

    Name:
    Xanthochymusone D

    Mol. Formula:
    C38H52O7

    M.W.:
    620.83

    Type:
    ---

    AlogP:
    7.78

    Polar Surface Area:
    121.13

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  7. ALA5219622

    Name:
    Xanthochymusone A

    Mol. Formula:
    C38H50O5

    M.W.:
    586.81

    Type:
    ---

    AlogP:
    9.21

    Polar Surface Area:
    91.67

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  8. ALA5219533

    Name:
    coccinone C

    Mol. Formula:
    C38H52O7

    M.W.:
    620.83

    Type:
    ---

    AlogP:
    7.78

    Polar Surface Area:
    121.13

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  9. ALA5220792

    Name:
    Xanthochymusone G

    Mol. Formula:
    C38H50O6

    M.W.:
    602.81

    Type:
    ---

    AlogP:
    8.59

    Polar Surface Area:
    100.90

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  10. ALA5220199

    Name:
    Xanthochymusone E

    Mol. Formula:
    C38H52O7

    M.W.:
    620.83

    Type:
    ---

    AlogP:
    7.78

    Polar Surface Area:
    121.13

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  11. ALA5220150

    Name:
    Xanthochymusone F

    Mol. Formula:
    C38H50O6

    M.W.:
    602.81

    Type:
    ---

    AlogP:
    8.59

    Polar Surface Area:
    100.90

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  12. ALA5219051

    Name:
    Xanthochymusone H

    Mol. Formula:
    C38H48O5

    M.W.:
    584.80

    Type:
    ---

    AlogP:
    8.66

    Polar Surface Area:
    80.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  13. ALA5218645

    Name:
    Xanthochymusone C

    Mol. Formula:
    C38H50O5

    M.W.:
    586.81

    Type:
    ---

    AlogP:
    8.88

    Polar Surface Area:
    80.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  14. ALA5209088

    Name:
    Fusarilin D

    Mol. Formula:
    C19H24O3

    M.W.:
    300.40

    Type:
    ---

    AlogP:
    4.66

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  15. ALA5208128

    Name:
    Fusarilin C

    Mol. Formula:
    C21H26O3

    M.W.:
    326.44

    Type:
    ---

    AlogP:
    5.22

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  16. ALA5207980

    Name:
    Fusarihexin D

    Mol. Formula:
    C53H56N6O7

    M.W.:
    889.07

    Type:
    ---

    AlogP:
    5.08

    Polar Surface Area:
    187.59

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  17. ALA5205663

    Name:
    3-(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)-5-(4-(trifluoromethyl)phenyShow More

    Mol. Formula:
    C22H19F6N3O

    M.W.:
    455.40

    Type:
    ---

    AlogP:
    5.70

    Polar Surface Area:
    32.51

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  18. ALA5202148

    Name:
    4-(3-(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)isoxazol-5-yl)phenol

    Mol. Formula:
    C21H20F3N3O2

    M.W.:
    403.40

    Type:
    ---

    AlogP:
    4.39

    Polar Surface Area:
    52.74

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  19. ALA5200466

    Name:
    3,5-dimethyl-4-((4-(3-(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)isoxazolShow More

    Mol. Formula:
    C27H27F3N4O3

    M.W.:
    512.53

    Type:
    ---

    AlogP:
    5.87

    Polar Surface Area:
    67.77

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  20. ALA5197605

    Name:
    5-(4-chlorophenyl)-3-(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)isoxazole

    Mol. Formula:
    C21H19ClF3N3O

    M.W.:
    421.85

    Type:
    ---

    AlogP:
    5.34

    Polar Surface Area:
    32.51

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
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