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  1. ALA4476722

    Name:
    (20R)-25-methoxy-dammarane-20-ol-3beta,12beta-diyl
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    Mol. Formula:
    C45H62Br2O6

    M.W.:
    858.79

    Type:
    Unknown

    AlogP:
    11.60

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  2. ALA4475083

    Name:
    (20R)-25-methoxy-dammarane-20-ol-3beta,12beta-diyl
    Show More

    Mol. Formula:
    C45H62I2O6

    M.W.:
    952.79

    Type:
    Unknown

    AlogP:
    11.29

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA4539962

    Name:
    (20R)-25-methoxy-dammarane-20-ol-3beta,12beta-diyl
    Show More

    Mol. Formula:
    C45H60Cl2I2O6

    M.W.:
    1021.68

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA4539651

    Name:
    21-Deoxybafilomycin A2

    Mol. Formula:
    C36H60O8

    M.W.:
    620.87

    Type:
    Unknown

    AlogP:
    6.38

    Polar Surface Area:
    103.68

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  5. ALA4538700

    Name:
    (1beta,4beta,4abeta,7alpha,8aalpha)-4,8a-dimethylo
    Show More

    Mol. Formula:
    C12H22O3

    M.W.:
    214.31

    Type:
    Unknown

    AlogP:
    1.06

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  6. ALA4559181

    Name:
    (20R)-25-methoxy-dammarane-20-ol-3beta,12beta-diyl
    Show More

    Mol. Formula:
    C45H60F4O6

    M.W.:
    772.96

    Type:
    Unknown

    AlogP:
    10.64

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  7. ALA4555972

    Name:
    Carbamic acid(8S,9S,12S,13R,14S,16S,17S)-13,22-dih
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    Mol. Formula:
    C35H48N2O8

    M.W.:
    624.78

    Type:
    Unknown

    AlogP:
    5.67

    Polar Surface Area:
    149.57

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  8. ALA4555030

    Name:
    (20R)-25-methoxy-dammarane-12beta, 20-diol-3beta-y
    Show More

    Mol. Formula:
    C38H59NO7

    M.W.:
    641.89

    Type:
    Unknown

    AlogP:
    8.12

    Polar Surface Area:
    119.13

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  9. ALA4553693

    Name:
    (20R)-25-methoxy-dammarane-20-ol-3beta,12beta-diyl
    Show More

    Mol. Formula:
    C49H66Cl2O6

    M.W.:
    821.97

    Type:
    Unknown

    AlogP:
    12.18

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  10. ALA4569883

    Name:
    epicubenol

    Cas Number:
    81939-29-9

    Mol. Formula:
    C15H26O

    M.W.:
    222.37

    Type:
    Unknown

    AlogP:
    3.78

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  11. ALA4568066

    Name:
    Ustiloxin B

    Mol. Formula:
    C26H39N5O12S

    M.W.:
    645.69

    Type:
    Unknown

    AlogP:
    -2.96

    Polar Surface Area:
    292.93

    HBA:
    12

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  12. ALA4528258

    Name:
    Carbamic acid(8S,9S,12S,13R,14S,16S,17S)-22-hydrox
    Show More

    Mol. Formula:
    C36H50N2O8

    M.W.:
    638.80

    Type:
    Unknown

    AlogP:
    6.33

    Polar Surface Area:
    138.57

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  13. ALA4527168

    Name:
    (20R)-25-methoxy-dammarane-3beta,20-diol-12beta-yl
    Show More

    Mol. Formula:
    C39H62O5

    M.W.:
    610.92

    Type:
    Unknown

    AlogP:
    8.52

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  14. ALA4546560

    Name:
    Eudesmanomolide

    Mol. Formula:
    C19H24O7

    M.W.:
    364.39

    Type:
    Unknown

    AlogP:
    1.79

    Polar Surface Area:
    99.13

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  15. ALA4582826

    Name:
    1(10)E,5E-germacradiene-3,11-diol

    Mol. Formula:
    C15H26O2

    M.W.:
    238.37

    Type:
    Unknown

    AlogP:
    3.06

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  16. ALA5282494

    Name:
    5-(3-hydroxypropyl)-9-(1H-indol-3-yl)benzo[de]imid
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    Mol. Formula:
    C24H18N4O3

    M.W.:
    410.43

    Type:
    ---

    AlogP:
    3.84

    Polar Surface Area:
    102.08

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  17. ALA5278160

    Name:
    5-(2-(diethylamino)ethyl)-9-(1H-indol-3-yl)benzo[d
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    Mol. Formula:
    C27H25N5O2

    M.W.:
    451.53

    Type:
    ---

    AlogP:
    4.80

    Polar Surface Area:
    85.09

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  18. ALA4798681

    Name:
    Triptolidenol

    Cas Number:
    99694-86-7

    Mol. Formula:
    C20H24O7

    M.W.:
    376.41

    Type:
    Unknown

    AlogP:
    0.22

    Polar Surface Area:
    104.35

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  19. ALA5286180

    Name:
    5-(2-(dimethylamino)ethyl)-9-(1H-indol-3-yl)benzo[
    Show More

    Mol. Formula:
    C25H21N5O2

    M.W.:
    423.48

    Type:
    ---

    AlogP:
    4.02

    Polar Surface Area:
    85.09

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  20. ALA5290745

    Name:
    9-(1H-indol-3-yl)-5-(octylamino)benzo[de]imidazo[4
    Show More

    Mol. Formula:
    C29H29N5O2

    M.W.:
    479.58

    Type:
    ---

    AlogP:
    6.33

    Polar Surface Area:
    93.88

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
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