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  1. ALA4284151

    Name:
    Volasertib

    Mol. Formula:
    C34H50N8O3

    M.W.:
    618.83

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    106.17

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  2. ALA1958477

    Name:
    4beta-[4'-(Biphenyl-4-sulphonamido)benzamide]podop
    Show More

    Mol. Formula:
    C41H36N2O10S

    M.W.:
    748.81

    Type:
    Small molecule

    AlogP:
    6.31

    Polar Surface Area:
    147.72

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  3. ALA1813304

    Name:
    4beta-(E)-3-(4-Hydroxyphenyl)-2-(3,4,5-trimethoxyp
    Show More

    Mol. Formula:
    C40H39NO12

    M.W.:
    725.75

    Type:
    Small molecule

    AlogP:
    5.51

    Polar Surface Area:
    149.47

    HBA:
    12

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  4. ALA1813302

    Name:
    4beta-(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-(3,4,5-t
    Show More

    Mol. Formula:
    C41H41NO13

    M.W.:
    755.77

    Type:
    Small molecule

    AlogP:
    5.51

    Polar Surface Area:
    158.70

    HBA:
    13

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  5. ALA1813301

    Name:
    4beta-(E)-2-(2-Methoxyphenyl)-3-(2-nitrophenyl)acr
    Show More

    Mol. Formula:
    C38H34N2O11

    M.W.:
    694.69

    Type:
    Small molecule

    AlogP:
    5.69

    Polar Surface Area:
    153.92

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  6. ALA1813300

    Name:
    4beta-(E)-2-(2-Methoxyphenyl)-3-(4-nitrophenyl)acr
    Show More

    Mol. Formula:
    C38H34N2O11

    M.W.:
    694.69

    Type:
    Small molecule

    AlogP:
    5.69

    Polar Surface Area:
    153.92

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  7. ALA1813299

    Name:
    4beta-(E)-3-(3-Methoxyphenyl)-2-(3,4,5-trimethoxyp
    Show More

    Mol. Formula:
    C41H41NO12

    M.W.:
    739.77

    Type:
    Small molecule

    AlogP:
    5.81

    Polar Surface Area:
    138.47

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  8. ALA1813298

    Name:
    4beta-(E)-3-(4-Methoxyphenyl)-2-(3,4,5-trimethoxyp
    Show More

    Mol. Formula:
    C41H41NO12

    M.W.:
    739.77

    Type:
    Small molecule

    AlogP:
    5.81

    Polar Surface Area:
    138.47

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  9. ALA1813296

    Name:
    4beta-(E)-3-(4-Nitrophenyl)-2-(3,4,5-trimethoxyphe
    Show More

    Mol. Formula:
    C40H38N2O13

    M.W.:
    754.75

    Type:
    Small molecule

    AlogP:
    5.71

    Polar Surface Area:
    172.38

    HBA:
    13

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  10. ALA1813295

    Name:
    4beta-(E)-3-(4-Hydroxy-3-nitrophenyl)-2-(3,4,5-tri
    Show More

    Mol. Formula:
    C40H38N2O14

    M.W.:
    770.74

    Type:
    Small molecule

    AlogP:
    5.41

    Polar Surface Area:
    192.61

    HBA:
    14

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  11. ALA1813294

    Name:
    4beta-(E)-3-(4-Methoxy-3-nitrophenyl)-2-(3,4,5-tri
    Show More

    Mol. Formula:
    C41H40N2O14

    M.W.:
    784.77

    Type:
    Small molecule

    AlogP:
    5.72

    Polar Surface Area:
    181.61

    HBA:
    14

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  12. ALA1813293

    Name:
    4beta-(E)-3-(2-Fluoro-4-methoxyphenyl)-2-(3,4,5-tr
    Show More

    Mol. Formula:
    C41H40FNO12

    M.W.:
    757.76

    Type:
    Small molecule

    AlogP:
    5.95

    Polar Surface Area:
    138.47

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  13. ALA1813292

    Name:
    4beta-(E)-3-(2-Fluoro-5-methoxyphenyl)-2-(3,4,5-tr
    Show More

    Mol. Formula:
    C41H40FNO12

    M.W.:
    757.76

    Type:
    Small molecule

    AlogP:
    5.95

    Polar Surface Area:
    138.47

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  14. ALA1813290

    Name:
    4beta-(E)-3-(4-Fluoro-3-methoxyphenyl)-2-(3,4,5-tr
    Show More

    Mol. Formula:
    C41H40FNO12

    M.W.:
    757.76

    Type:
    Small molecule

    AlogP:
    5.95

    Polar Surface Area:
    138.47

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  15. ALA1773346

    Name:
    Epipodophyllotoxin 4-[2-(dimethylamino)ethyl]carba
    Show More

    Mol. Formula:
    C27H32N2O9

    M.W.:
    528.56

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    114.02

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  16. ALA1773344

    Name:
    Epipodophyllotoxin 4-[N-(4-trifluoromethylbenzyl)]
    Show More

    Mol. Formula:
    C31H28F3NO9

    M.W.:
    615.56

    Type:
    Small molecule

    AlogP:
    5.36

    Polar Surface Area:
    110.78

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  17. ALA1773342

    Name:
    Epipodophyllotoxin 4-[N-(2-propynyl)]carbamate

    Mol. Formula:
    C26H25NO9

    M.W.:
    495.48

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    110.78

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  18. ALA1773341

    Name:
    Epipodophyllotoxin 4-[N-(2-methoxyethyl)]carbamate

    Mol. Formula:
    C26H29NO10

    M.W.:
    515.52

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    120.01

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  19. ALA1773340

    Name:
    Epipodophyllotoxin 4-(N,N-dimethyl)carbamate

    Mol. Formula:
    C25H27NO9

    M.W.:
    485.49

    Type:
    Small molecule

    AlogP:
    3.12

    Polar Surface Area:
    101.99

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  20. ALA1773339

    Name:
    Epipodophyllotoxin 4-[N-(cyclopropylmethyl)]carbam
    Show More

    Mol. Formula:
    C27H29NO9

    M.W.:
    511.53

    Type:
    Small molecule

    AlogP:
    3.55

    Polar Surface Area:
    110.78

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
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