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Items 1-20 of 2,431,025

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  1. ALA4514751

    Name:
    C10322546

    Mol. Formula:
    C11H15F3N4O2

    M.W.:
    292.26

    Type:
    Unknown

    AlogP:
    0.82

    Polar Surface Area:
    81.34

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  2. ALA4514750

    Name:
    4-(4-Chlorophenylcarbamoyl)-2-(4-(5,6-dichloro-1H-
    Show More

    Mol. Formula:
    C28H17Cl3N4O4

    M.W.:
    579.83

    Type:
    Unknown

    AlogP:
    7.39

    Polar Surface Area:
    124.18

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  3. ALA4514749

    Name:
    4-ethyl-1-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H
    Show More

    Mol. Formula:
    C20H24N6O2

    M.W.:
    380.45

    Type:
    Unknown

    AlogP:
    1.91

    Polar Surface Area:
    107.67

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  4. ALA4514748

    Name:
    (E)-3-(2-(((3-(1-Benzylpiperidin-4-yl)-1,2,4-oxadi
    Show More

    Mol. Formula:
    C23H27N7O3

    M.W.:
    449.52

    Type:
    Unknown

    AlogP:
    2.39

    Polar Surface Area:
    120.51

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  5. ALA4514747

    Name:
    (3S,4R,6S)-4-(4-chlorobenzylthio)-1-tosyl-6-(3,4,5
    Show More

    Mol. Formula:
    C29H32ClNO7S2

    M.W.:
    606.16

    Type:
    Unknown

    AlogP:
    5.81

    Polar Surface Area:
    102.37

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  6. ALA4514746

    Name:
    3-(1-(4-(4-bromophenyl)thiazol-2-yl)-3-methyl-1H-p
    Show More

    Mol. Formula:
    C22H14BrN3O2S

    M.W.:
    464.34

    Type:
    Unknown

    AlogP:
    5.84

    Polar Surface Area:
    60.92

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  7. ALA4514745

    Name:
    Ethyl (E)-2-(2-(difluoromethoxy)-5-(2-nitrovinyl)p
    Show More

    Mol. Formula:
    C15H17F2NO6

    M.W.:
    345.30

    Type:
    Unknown

    AlogP:
    3.26

    Polar Surface Area:
    87.90

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  8. ALA4514744

    Name:
    C10317202

    Mol. Formula:
    C11H15BrN2O

    M.W.:
    271.16

    Type:
    Unknown

    AlogP:
    1.67

    Polar Surface Area:
    41.13

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  9. ALA4514743

    Name:
    N-(1-cyanopyrrolidin-3-yl)-6-(4-(pyridin-4-yl)pipe
    Show More

    Mol. Formula:
    C21H24N6O

    M.W.:
    376.46

    Type:
    Unknown

    AlogP:
    2.15

    Polar Surface Area:
    85.15

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  10. ALA4514742

    Name:
    1-[4-(6,7-Dimethoxyquinolin-4-yloxy)-3-fluoropheny
    Show More

    Mol. Formula:
    C26H21F4N3O6S

    M.W.:
    579.53

    Type:
    Unknown

    AlogP:
    5.85

    Polar Surface Area:
    115.85

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  11. ALA4514741

    Name:
    C10316382

    Mol. Formula:
    C13H16ClN5

    M.W.:
    277.76

    Type:
    Unknown

    AlogP:
    1.73

    Polar Surface Area:
    46.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  12. ALA4514740

    Name:
    MMV1263282

    Mol. Formula:
    C22H26N2O3

    M.W.:
    366.46

    Type:
    Unknown

    AlogP:
    4.50

    Polar Surface Area:
    67.43

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  13. ALA4514739

    Name:
    sodium (S)-6-(2-chloro-4-methylphenylamino)-4-(4'-
    Show More

    Mol. Formula:
    C26H29ClN3NaO5

    M.W.:
    521.98

    Type:
    Unknown

    AlogP:
    6.34

    Polar Surface Area:
    118.46

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  14. ALA4514738

    Name:
    pregnane-3beta,5alpha,6beta,8beta,12beta,14beta,17
    Show More

    Mol. Formula:
    C32H44O9

    M.W.:
    572.70

    Type:
    Unknown

    AlogP:
    1.61

    Polar Surface Area:
    167.91

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  15. ALA4514737

    Name:
    5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-
    Show More

    Mol. Formula:
    C24H22FN3O3

    M.W.:
    419.46

    Type:
    Unknown

    AlogP:
    2.87

    Polar Surface Area:
    77.12

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  16. ALA4514736

    Name:
    C0226169

    Cas Number:
    1251586-97-6

    Mol. Formula:
    C22H21ClN4O2S

    M.W.:
    440.96

    Type:
    Unknown

    AlogP:
    4.65

    Polar Surface Area:
    67.57

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  17. ALA4514735

    Name:
    NA

    Mol. Formula:
    C39H48N2O7

    M.W.:
    656.82

    Type:
    Unknown

    AlogP:
    6.49

    Polar Surface Area:
    113.79

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  18. ALA4514734

    Name:
    Epicatechin-(4beta->8)-ent-epicatechin

    Cas Number:
    82262-99-5

    Mol. Formula:
    C30H26O12

    M.W.:
    578.53

    Type:
    Unknown

    AlogP:
    3.00

    Polar Surface Area:
    220.76

    HBA:
    12

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  19. ALA4514733

    Name:
    MMV1124225

    Mol. Formula:
    C17H20N4O2

    M.W.:
    312.37

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    60.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  20. ALA4514732

    Name:
    (S)-2-(2-(carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-
    Show More

    Mol. Formula:
    C40H48N4O14

    M.W.:
    808.84

    Type:
    Unknown

    AlogP:
    4.20

    Polar Surface Area:
    268.18

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    24

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
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