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  1. ALA5219923

    Name:
    (3S,4S,4aS,9aR)-methyl 4a-acetoxy-3-((1E,3E)-5-((2-((2-(2,6-dioxopiperidin-Show More

    Mol. Formula:
    C38H42N4O11

    M.W.:
    730.77

    Type:
    ---

    AlogP:
    2.42

    Polar Surface Area:
    203.58

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  2. ALA5203064

    Name:
    4-{[4-(phenylamino)-6-[(E)-2-[(pyridin-2-yl)methylidene]hydrazin-1-yl]-1,3,Show More

    Mol. Formula:
    C21H19N9O2S

    M.W.:
    461.51

    Type:
    ---

    AlogP:
    2.85

    Polar Surface Area:
    160.17

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  3. ALA5193322

    Name:
    3-(6-(4-fluorophenyl)-2-methylimidazo[2,1-b]thiazol-5-yl)-1-(3,4,5-trimethoShow More

    Mol. Formula:
    C24H21FN2O4S

    M.W.:
    452.51

    Type:
    ---

    AlogP:
    5.43

    Polar Surface Area:
    62.06

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  4. ALA4649826

    Name:
    3-((9H-carbazol-4-yl)oxy)-N-([1,1'-biphenyl]-4-ylmethyl)propan-1-amine

    Mol. Formula:
    C28H26N2O

    M.W.:
    406.53

    Type:
    Unknown

    AlogP:
    6.55

    Polar Surface Area:
    37.05

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  5. ALA4648268

    Name:
    rac-1-((9H-carbazol-4-yl)oxy)-3-((2-methylquinolin-8-yl)amino)propan-2-ol

    Mol. Formula:
    C25H23N3O2

    M.W.:
    397.48

    Type:
    Unknown

    AlogP:
    5.03

    Polar Surface Area:
    70.17

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  6. ALA4647987

    Name:
    rac-1-(([1,1'-biphenyl]-4-ylmethyl)amino)-3-(3-(phenylamino)phenoxy)propan-Show More

    Mol. Formula:
    C28H28N2O2

    M.W.:
    424.54

    Type:
    Unknown

    AlogP:
    5.63

    Polar Surface Area:
    53.52

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  7. ALA4647396

    Name:
    rac-1-([1,1'-biphenyl]-4-yloxy)-3-((2-(2-methoxyphenoxy)ethyl)amino)propan-Show More

    Mol. Formula:
    C24H27NO4

    M.W.:
    393.48

    Type:
    Unknown

    AlogP:
    3.77

    Polar Surface Area:
    59.95

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  8. ALA4646676

    Name:
    4-(3-(4-(pyridin-2-yl)piperazin-1-yl)propoxy)-9H-carbazole

    Mol. Formula:
    C24H26N4O

    M.W.:
    386.50

    Type:
    Unknown

    AlogP:
    4.31

    Polar Surface Area:
    44.39

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  9. ALA4646099

    Name:
    (S)-1-((9H-carbazol-4-yl)oxy)-3-(([1,1'-biphenyl]-4-ylmethyl)amino)propan-2Show More

    Mol. Formula:
    C28H26N2O2

    M.W.:
    422.53

    Type:
    Unknown

    AlogP:
    5.52

    Polar Surface Area:
    57.28

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  10. ALA4643089

    Name:
    rac-1-([1,1'-biphenyl]-4-yloxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

    Mol. Formula:
    C25H28N2O2

    M.W.:
    388.51

    Type:
    Unknown

    AlogP:
    3.92

    Polar Surface Area:
    35.94

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  11. ALA4641718

    Name:
    4-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propoxy)-9H-carbazole

    Mol. Formula:
    C26H29N3O2

    M.W.:
    415.54

    Type:
    Unknown

    AlogP:
    4.92

    Polar Surface Area:
    40.73

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  12. ALA4641529

    Name:
    rac-1-([1,1'-biphenyl]-4-yloxy)-3-(4-(pyridin-2-yl)piperazin-1-yl)propan-2-Show More

    Mol. Formula:
    C24H27N3O2

    M.W.:
    389.50

    Type:
    Unknown

    AlogP:
    3.31

    Polar Surface Area:
    48.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  13. ALA4640999

    Name:
    rac-1-((9H-carbazol-4-yl)oxy)-3-(([1,1'-biphenyl]-4-ylmethyl)amino)propan-2Show More

    Mol. Formula:
    C28H26N2O2

    M.W.:
    422.53

    Type:
    Unknown

    AlogP:
    5.52

    Polar Surface Area:
    57.28

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  14. ALA4640312

    Name:
    N-(3-((9H-carbazol-4-yl)oxy)propyl)-2-methylquinolin-8-amine

    Mol. Formula:
    C25H23N3O

    M.W.:
    381.48

    Type:
    Unknown

    AlogP:
    6.06

    Polar Surface Area:
    49.94

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  15. ALA4638494

    Name:
    rac-1-((9H-carbazol-4-yl)oxy)-3-(4-(pyridin-2-yl)piperazin-1-yl)propan-2-ol

    Mol. Formula:
    C24H26N4O2

    M.W.:
    402.50

    Type:
    Unknown

    AlogP:
    3.28

    Polar Surface Area:
    64.62

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  16. ALA4637718

    Name:
    4-(3-(4-phenylpiperazin-1-yl)propoxy)-9H-carbazole

    Mol. Formula:
    C25H27N3O

    M.W.:
    385.51

    Type:
    Unknown

    AlogP:
    4.91

    Polar Surface Area:
    31.50

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  17. ALA4633203

    Name:
    rac-1-((2-(2-methoxyphenoxy)ethyl)amino)-3-(naphthalen-2-yloxy)propan-2-ol

    Mol. Formula:
    C22H25NO4

    M.W.:
    367.45

    Type:
    Unknown

    AlogP:
    3.26

    Polar Surface Area:
    59.95

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  18. ALA4632553

    Name:
    3-(3-(([1,1'-biphenyl]-4-ylmethyl)amino)propoxy)-N-phenylaniline

    Mol. Formula:
    C28H28N2O

    M.W.:
    408.55

    Type:
    Unknown

    AlogP:
    6.66

    Polar Surface Area:
    33.29

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  19. ALA4292835

    Name:
    Allianthrone C; ((9S,9'S)-3,3'-dichloro-4,4',5,5'-tetrahydroxy-7,7'-bis((S)Show More

    Mol. Formula:
    C36H32Cl2O10

    M.W.:
    695.55

    Type:
    Small molecule

    AlogP:
    5.73

    Polar Surface Area:
    173.98

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  20. ALA4100323

    Name:
    2-(3-((2-((3-aminopropyl)amino)ethyl)amino)propyl)-7-(3-((2-methoxybenzyl)aShow More

    Mol. Formula:
    C33H40N6O5

    M.W.:
    600.72

    Type:
    Small molecule

    AlogP:
    2.14

    Polar Surface Area:
    146.10

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
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