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  1. ALA5290395

    Name:
    5-chloro-N-(2,4-dimethoxybenzyl)-3-methoxybenzo[b]
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    Mol. Formula:
    C19H18ClNO4S

    M.W.:
    391.88

    Type:
    ---

    AlogP:
    4.51

    Polar Surface Area:
    56.79

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  2. ALA5288309

    Name:
    N-(2-bromobenzyl)-3-methoxybenzo[b]thiophene-2-car
    Show More

    Mol. Formula:
    C17H14BrNO2S

    M.W.:
    376.27

    Type:
    ---

    AlogP:
    4.60

    Polar Surface Area:
    38.33

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  3. ALA4859637

    Name:
    NA

    Mol. Formula:
    C28H39N7O4SSi

    M.W.:
    597.82

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA4856536

    Name:
    NA

    Mol. Formula:
    C30H38F3N7O4SSi

    M.W.:
    677.83

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA1098233

    Name:
    1-(5-chloro-2-methoxybenzyl)-N-(2-hydroxyethyl)-5-
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    Mol. Formula:
    C23H28ClN5O4S

    M.W.:
    506.03

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    118.37

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  6. ALA1096523

    Name:
    N-(5-(1-(5-chloro-2-methoxybenzyl)-3-(morpholine-4
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    Mol. Formula:
    C25H30ClN5O4S

    M.W.:
    532.07

    Type:
    Small molecule

    AlogP:
    4.48

    Polar Surface Area:
    98.58

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  7. ALA1098499

    Name:
    1-(5-chloro-2-methoxybenzyl)-N-(4-methoxyphenyl)-5
    Show More

    Mol. Formula:
    C28H30ClN5O4S

    M.W.:
    568.10

    Type:
    Small molecule

    AlogP:
    6.27

    Polar Surface Area:
    107.37

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  8. ALA1097861

    Name:
    N,1-dibenzyl-5-(4-methyl-2-pivalamidothiazol-5-yl)
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    Mol. Formula:
    C27H29N5O2S

    M.W.:
    487.63

    Type:
    Small molecule

    AlogP:
    5.28

    Polar Surface Area:
    88.91

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  9. ALA1097860

    Name:
    1-allyl-N-benzyl-5-(4-methyl-2-pivalamidothiazol-5
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    Mol. Formula:
    C23H27N5O2S

    M.W.:
    437.57

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    88.91

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  10. ALA1098779

    Name:
    1-allyl-N-(4-methoxyphenyl)-5-(4-methyl-2-pivalami
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    Mol. Formula:
    C23H27N5O3S

    M.W.:
    453.57

    Type:
    Small molecule

    AlogP:
    4.75

    Polar Surface Area:
    98.14

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  11. ALA1098166

    Name:
    1-(4-bromophenyl)-N-(4-methoxyphenyl)-5-(4-methyl-
    Show More

    Mol. Formula:
    C26H26BrN5O3S

    M.W.:
    568.50

    Type:
    Small molecule

    AlogP:
    6.31

    Polar Surface Area:
    98.14

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  12. ALA1099214

    Name:
    ethyl 1-benzyl-3-(4-methyl-2-pivalamidothiazol-5-y
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    Mol. Formula:
    C22H26N4O3S

    M.W.:
    426.54

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    86.11

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  13. ALA4791435

    Name:
    (8-Methoxy-5-methyl-1,3,4,5-tetrahydro-2H-pyrido[4
    Show More

    Mol. Formula:
    C18H17F3N4O2

    M.W.:
    378.35

    Type:
    Unknown

    AlogP:
    3.13

    Polar Surface Area:
    63.15

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  14. ALA4790792

    Name:
    4-(6-Amino-9H-purin-9-yl)benzamide

    Mol. Formula:
    C12H10N6O

    M.W.:
    254.25

    Type:
    Unknown

    AlogP:
    0.50

    Polar Surface Area:
    112.71

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  15. ALA4790232

    Name:
    4-(2-Amino-6-hydroxy-9H-purin-9-yl)benzamide

    Mol. Formula:
    C12H10N6O2

    M.W.:
    270.25

    Type:
    Unknown

    AlogP:
    0.20

    Polar Surface Area:
    132.94

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  16. ALA4789667

    Name:
    4-(2-(1-(benzo[d][1,3]dioxol-5-yl)cyclopropanecarb
    Show More

    Mol. Formula:
    C28H20N2O6S

    M.W.:
    512.54

    Type:
    Unknown

    AlogP:
    5.14

    Polar Surface Area:
    114.82

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  17. ALA4861993

    Name:
    NA

    Mol. Formula:
    C31H45N7O3SSi

    M.W.:
    623.90

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA4782117

    Name:
    2-[2-[(3,4,5-trimethoxybenzoyl)amino]thiazol-4-yl]
    Show More

    Mol. Formula:
    C15H16N2O6S

    M.W.:
    352.37

    Type:
    Unknown

    AlogP:
    2.05

    Polar Surface Area:
    106.98

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  19. ALA4781655

    Name:
    4-(2-Amino-9H-purin-9-yl)benzamide

    Mol. Formula:
    C12H10N6O

    M.W.:
    254.25

    Type:
    Unknown

    AlogP:
    0.50

    Polar Surface Area:
    112.71

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  20. ALA4781649

    Name:
    1-(Benzo[d][1,3]dioxol-5-yl)-N-(5-(4-methylbenzoyl
    Show More

    Mol. Formula:
    C22H18N2O4S

    M.W.:
    406.46

    Type:
    Unknown

    AlogP:
    4.08

    Polar Surface Area:
    77.52

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
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