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  1. ALA4871119

    Name:
    Gelsemicine

    Mol. Formula:
    C20H26N2O4

    M.W.:
    358.44

    Type:
    Unknown

    AlogP:
    2.02

    Polar Surface Area:
    60.03

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  2. ALA5287089

    Name:
    3,4-dimethyl-7-(3-(4-((((3R,5aS,6R,8aS,9R,10S,12R,
    Show More

    Mol. Formula:
    C32H41N3O8

    M.W.:
    595.69

    Type:
    ---

    AlogP:
    5.20

    Polar Surface Area:
    116.30

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  3. ALA5287019

    Name:
    2-((2S)-2-(3-amino-2-(2,3-diaminopropanamido)propa
    Show More

    Mol. Formula:
    C63H76N18O9

    M.W.:
    1229.42

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA5286686

    Name:
    3,4-dimethyl-8-((1-(3-(((3R,5aS,6R,8aS,9R,10R,12R,
    Show More

    Mol. Formula:
    C32H41N3O8

    M.W.:
    595.69

    Type:
    ---

    AlogP:
    5.20

    Polar Surface Area:
    116.30

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  5. ALA5286188

    Name:
    3-chloro-4-methyl-8-((1-(2-(((3R,5aS,6R,8aS,9R,10R
    Show More

    Mol. Formula:
    C30H36ClN3O8

    M.W.:
    602.08

    Type:
    ---

    AlogP:
    5.15

    Polar Surface Area:
    116.30

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  6. ALA5285620

    Name:
    4-methyl-7-(3-(4-((((3R,5aS,6R,8aS,9R,10S,12R,12aR
    Show More

    Mol. Formula:
    C31H39N3O8

    M.W.:
    581.67

    Type:
    ---

    AlogP:
    4.89

    Polar Surface Area:
    116.30

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  7. ALA5285223

    Name:
    4-methyl-7-(2-(4-((((3R,5aS,6R,8aS,9R,10S,12R,12aR
    Show More

    Mol. Formula:
    C30H37N3O8

    M.W.:
    567.64

    Type:
    ---

    AlogP:
    4.50

    Polar Surface Area:
    116.30

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  8. ALA5285096

    Name:
    3-chloro-4-methyl-7-(3-(4-((((3R,5aS,6R,8aS,9R,10S
    Show More

    Mol. Formula:
    C31H38ClN3O8

    M.W.:
    616.11

    Type:
    ---

    AlogP:
    5.54

    Polar Surface Area:
    116.30

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  9. ALA5283068

    Name:
    (2S)-6-amino-N-((2S)-6-amino-1-((2S)-1-(1-((S)-1,6
    Show More

    Mol. Formula:
    C55H72N12O6

    M.W.:
    997.26

    Type:
    ---

    AlogP:
    2.89

    Polar Surface Area:
    324.25

    HBA:
    10

    HBD:
    12

    #RO5 Violations:
    2

    #Rotatable Bonds:
    30

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  10. ALA5281910

    Name:
    3,3'-(piperazine-1,4-diyl)bis(N-(4-chlorobenzyl)pr
    Show More

    Mol. Formula:
    C24H34Cl2N4

    M.W.:
    449.47

    Type:
    ---

    AlogP:
    4.27

    Polar Surface Area:
    30.54

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  11. ALA5281642

    Name:
    (S)-2,6-diamino-N-((5S,8S,11S,14S,17S,20S,23S,26S)
    Show More

    Mol. Formula:
    C74H103N19O9

    M.W.:
    1402.76

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA5279489

    Name:
    (2S)-2-((2S,8S,11S,14S)-8-((1H-indol-3-yl)methyl)-
    Show More

    Mol. Formula:
    C80H106N18O9

    M.W.:
    1463.84

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA5279347

    Name:
    Hexyl (2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1(2H)-y
    Show More

    Mol. Formula:
    C23H38N8O5

    M.W.:
    506.61

    Type:
    ---

    AlogP:
    -0.18

    Polar Surface Area:
    204.67

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  14. ALA5278547

    Name:
    (2S)-2,6-diamino-N-((5S,8S,14S,17S,20S,23S,26S)-8,
    Show More

    Mol. Formula:
    C78H106N18O9

    M.W.:
    1439.82

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA5278524

    Name:
    ethyl 2-oxo-8-((1-(2-(((3R,5aS,6R,8aS,9R,10R,12R,1
    Show More

    Mol. Formula:
    C32H39N3O10

    M.W.:
    625.68

    Type:
    ---

    AlogP:
    4.36

    Polar Surface Area:
    142.60

    HBA:
    13

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  16. ALA5277843

    Name:
    4-(trifluoromethyl)-8-((1-(3-(((3R,5aS,6R,8aS,9R,1
    Show More

    Mol. Formula:
    C31H36F3N3O8

    M.W.:
    635.64

    Type:
    ---

    AlogP:
    5.60

    Polar Surface Area:
    116.30

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  17. ALA5277829

    Name:
    ethyl 2-oxo-7-(3-(4-((((3R,5aS,6R,8aS,9R,10S,12R,1
    Show More

    Mol. Formula:
    C33H41N3O10

    M.W.:
    639.70

    Type:
    ---

    AlogP:
    4.75

    Polar Surface Area:
    142.60

    HBA:
    13

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  18. ALA4866349

    Name:
    Gelsedine

    Mol. Formula:
    C19H24N2O3

    M.W.:
    328.41

    Type:
    Unknown

    AlogP:
    2.01

    Polar Surface Area:
    50.80

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  19. ALA4864504

    Name:
    Rac-4-iodo-N-(4-(2,4-dichlorophenyl)-1-(4-methoxyp
    Show More

    Mol. Formula:
    C22H17Cl2IN2O

    M.W.:
    523.20

    Type:
    Unknown

    AlogP:
    7.29

    Polar Surface Area:
    24.83

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  20. ALA4864325

    Name:
    Rac-N-(1-(4-(benzyloxy)phenyl)-4-(2,4-dichlorophen
    Show More

    Mol. Formula:
    C28H21Cl2IN2O

    M.W.:
    599.30

    Type:
    Unknown

    AlogP:
    8.86

    Polar Surface Area:
    24.83

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
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