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Compounds

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19 Items

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  1. ALA4791810

    Name:
    (4-(4-Methyl-6-(4-nitrophenyl)-2-oxo-hexahydropyrimidine-5-carboxamido)benzShow More⌵

    Mol. Formula:
    C24H23N5O9

    M.W.:
    525.47

    5  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    1.91

    Polar Surface Area:
    217.07

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  2. ALA4783671

    Name:
    (4-((2-(4-((2,4-Diaminopyrimidine-5-yl)methyl)-2,6-dimethoxyphenoxy)ethyl)aShow More⌵

    Mol. Formula:
    C31H34N6O6

    M.W.:
    586.65

    5  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    3.17

    Polar Surface Area:
    183.94

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  3. ALA4783402

    Name:
    dimethyl 1-(4-(3-(ethoxycarbonyl)quinoxalin-2-ylamino)benzoyl)piperidine-2,Show More⌵

    Mol. Formula:
    C27H28N4O7

    M.W.:
    520.54

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    3.12

    Polar Surface Area:
    137.02

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. ALA4779765

    Name:
    (2-(4-((2,4-Diaminopyrimidine-5-yl)methyl)-2,6-dimethoxyphenoxy)-2-oxoethylShow More⌵

    Mol. Formula:
    C24H27N5O6

    M.W.:
    481.51

    5  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    1.44

    Polar Surface Area:
    171.91

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  5. ALA4776197

    Name:
    1-(4-(8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-ylamino)benzoyl)pipeShow More⌵

    Mol. Formula:
    C28H24F3N5O3

    M.W.:
    535.53

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    5.58

    Polar Surface Area:
    121.44

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  6. ALA4763597

    Name:
    1-(4-(6-(trifluoromethyl)quinoxalin-2-ylamino)benzoyl)piperidine-4-carboxylShow More⌵

    Mol. Formula:
    C22H19F3N4O3

    M.W.:
    444.41

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.33

    Polar Surface Area:
    95.42

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  7. ALA4761589

    Name:
    (2-(4-((2,4-Diaminopyrimidine-5-yl)methyl)-2,6-dimethoxyphenoxy)-2-oxoethylShow More⌵

    Mol. Formula:
    C26H28N6O6

    M.W.:
    520.55

    5  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    1.92

    Polar Surface Area:
    187.70

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  8. ALA4759800

    Name:
    (4-((2-(4-((2,4-Diaminopyrimidine-5-yl)methyl)-2,6-dimethoxyphenoxy)ethyl)aShow More⌵

    Mol. Formula:
    C27H34N6O6

    M.W.:
    538.61

    5  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    2.58

    Polar Surface Area:
    183.94

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  9. ALA4757974

    Name:
    (4-((2-(4-((2,4-Diaminopyrimidine-5-yl)methyl)-2,6dimethoxyphenoxy)ethyl)amShow More⌵

    Mol. Formula:
    C33H35N7O6

    M.W.:
    625.69

    4  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    3.65

    Polar Surface Area:
    199.73

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  10. ALA4754677

    Name:
    (4-(4-(4-Methoxyphenyl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamido)benShow More⌵

    Mol. Formula:
    C25H26N4O8

    M.W.:
    510.50

    4  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    2.01

    Polar Surface Area:
    183.16

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  11. ALA4752301

    Name:
    (2-(4-((2,4-Diaminopyrimidine-5-yl)methyl)-2,6-dimethoxyphenoxy)-2-oxoethylShow More⌵

    Mol. Formula:
    C21H29N5O6

    M.W.:
    447.49

    5  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    1.24

    Polar Surface Area:
    171.91

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  12. ALA4750040

    Name:
    (4-(4-Methyl-2-oxo-6-(p-tolyl)hexahydropyrimidine-5-carboxamido)benzoyl)gluShow More⌵

    Mol. Formula:
    C25H26N4O7

    M.W.:
    494.50

    4  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    2.31

    Polar Surface Area:
    173.93

    HBA:
    5

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  13. ALA4748158

    Name:
    (4-(4-(4-Chlorophenyl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamido)benzShow More⌵

    Mol. Formula:
    C24H23ClN4O7

    M.W.:
    514.92

    5  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    2.65

    Polar Surface Area:
    173.93

    HBA:
    5

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  14. ALA4748139

    Name:
    4-((2-(4-((2,4-Diaminopyrimidine-5-yl)methyl)-2,6-dimethoxyphenoxy)ethyl)amShow More⌵

    Mol. Formula:
    C27H32N6O8

    M.W.:
    568.59

    5  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    1.79

    Polar Surface Area:
    221.24

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  15. ALA4745475

    Name:
    (2-(4-((2,4-Diaminopyrimidine-5-yl)methyl)-2,6-dimethoxyphenoxy)-2-oxoethylShow More⌵

    Mol. Formula:
    C20H25N5O8

    M.W.:
    463.45

    5  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    0.06

    Polar Surface Area:
    209.21

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  16. ALA4743204

    Name:
    (4-(4-Methyl-2-oxo-6-phenylhexahydropyrimidine-5-carboxamido)benzoyl)glutamShow More⌵

    Mol. Formula:
    C24H24N4O7

    M.W.:
    480.48

    5  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    2.00

    Polar Surface Area:
    173.93

    HBA:
    5

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  17. ALA3410464

    Name:
    N6-{2-[5,6-dichloro-2-(trifluoromethyl)-1H-benzimidazol-1-yl]ethyl}quinazolShow More⌵

    Mol. Formula:
    C18H14Cl2F3N7

    M.W.:
    456.26

    6  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    4.58

    Polar Surface Area:
    107.67

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  18. ALA546890

    Name:
    N6-(4-methoxybenzyl)quinazoline-2,4,6-triamine

    Mol. Formula:
    C16H17N5O

    M.W.:
    295.35

    13  activity values

    7   unique targets

    Type:
    Small molecule

    AlogP:
    2.41

    Polar Surface Area:
    99.08

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  19. ALA6755

    Name:
    1-[3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-phenyl]-ethanone

    Mol. Formula:
    C13H17N5O

    M.W.:
    259.31

    15  activity values

    10   unique targets

    Type:
    Small molecule

    AlogP:
    1.07

    Polar Surface Area:
    97.07

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
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