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  1. ALA2269698

    Name:
    Ajugamarin G1

    Mol. Formula:
    C34H48O11

    M.W.:
    632.75

    Type:
    Small molecule

    AlogP:
    4.40

    Polar Surface Area:
    144.03

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  2. ALA2269697

    Name:
    Dihydroajugamarin

    Mol. Formula:
    C29H42O10

    M.W.:
    550.65

    Type:
    Small molecule

    AlogP:
    2.88

    Polar Surface Area:
    137.96

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  3. ALA2269696

    Name:
    Ajugareptansone A

    Mol. Formula:
    C29H40O10

    M.W.:
    548.63

    Type:
    Small molecule

    AlogP:
    3.09

    Polar Surface Area:
    134.80

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  4. ALA2269695

    Name:
    6alpha,19-diacetoxy-4alpha,18-epoxy-3beta-hydroxy-12(S)-(2-methylbutanoyl)oShow More

    Mol. Formula:
    C29H40O11

    M.W.:
    564.63

    Type:
    Small molecule

    AlogP:
    2.06

    Polar Surface Area:
    155.03

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  5. ALA2269694

    Name:
    Ajugatansin B1

    Mol. Formula:
    C29H42O10

    M.W.:
    550.65

    Type:
    Small molecule

    AlogP:
    2.88

    Polar Surface Area:
    137.96

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  6. ALA2269693

    Name:
    3-Epicaryoptin

    Mol. Formula:
    C26H36O9

    M.W.:
    492.57

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    109.89

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  7. ALA2269692

    Name:
    Athaliadiol

    Mol. Formula:
    C24H34O9

    M.W.:
    466.53

    Type:
    Small molecule

    AlogP:
    1.30

    Polar Surface Area:
    124.05

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  8. ALA2269691

    Name:
    Ajugachin A

    Mol. Formula:
    C28H40O10

    M.W.:
    536.62

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    130.12

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  9. ALA2269690

    Name:
    Clerodendrin I

    Mol. Formula:
    C33H44O14

    M.W.:
    664.70

    Type:
    Small molecule

    AlogP:
    2.04

    Polar Surface Area:
    182.72

    HBA:
    14

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  10. ALA2269689

    Name:
    Clerodendrin H

    Mol. Formula:
    C33H46O14

    M.W.:
    666.72

    Type:
    Small molecule

    AlogP:
    2.12

    Polar Surface Area:
    182.72

    HBA:
    14

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  11. ALA2269688

    Name:
    Clerodendrin G

    Mol. Formula:
    C29H40O10

    M.W.:
    548.63

    Type:
    Small molecule

    AlogP:
    2.82

    Polar Surface Area:
    130.12

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  12. ALA2269687

    Name:
    Clerodendrin F

    Mol. Formula:
    C33H44O14

    M.W.:
    664.70

    Type:
    Small molecule

    AlogP:
    2.04

    Polar Surface Area:
    182.72

    HBA:
    14

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  13. ALA2269686

    Name:
    Clerodendrin E

    Mol. Formula:
    C30H40O12

    M.W.:
    592.64

    Type:
    Small molecule

    AlogP:
    2.11

    Polar Surface Area:
    156.42

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  14. ALA2269685

    Name:
    Clerodendrin D

    Mol. Formula:
    C29H42O10

    M.W.:
    550.65

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    130.12

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  15. ALA2269684

    Name:
    Clerodendrin B

    Mol. Formula:
    C31H44O12

    M.W.:
    608.68

    Type:
    Small molecule

    AlogP:
    2.58

    Polar Surface Area:
    156.42

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  16. ALA2269683

    Name:
    Clerodendrin A

    Mol. Formula:
    C31H42O12

    M.W.:
    606.67

    Type:
    Small molecule

    AlogP:
    2.50

    Polar Surface Area:
    156.42

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
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