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  1. BI-3802

    Name:
    2-[[6-[[5-chloro-2-[(3R,5S)-3,5-dimethyl-1-piperidyl]pyrimidin-4-yl]amino]-Show More

    Mol. Formula:
    C24H29ClN6O3

    M.W.:
    484.99

    Type:
    Unknown

    AlogP:
    3.33

    Polar Surface Area:
    101.38

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  2. ALA4585980

    Name:
    (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)(3,4-dimethoxyphenyl)methanone

    Mol. Formula:
    C17H16N2O3S

    M.W.:
    328.39

    Type:
    Unknown

    AlogP:
    3.44

    Polar Surface Area:
    74.44

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  3. ALA4584382

    Name:
    4-Amino-5-(5-methylthiophene-2-carbonyl)-2-[(propan-2-yl)amino]thiophene-3-Show More

    Mol. Formula:
    C14H15N3OS2

    M.W.:
    305.43

    Type:
    Unknown

    AlogP:
    3.62

    Polar Surface Area:
    78.91

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  4. ALA4579783

    Name:
    4-amino-5-(benzo[d][1,3]dioxole-5-carbonyl)-2-(isopropylamino)thiophene-3-cShow More

    Mol. Formula:
    C16H15N3O3S

    M.W.:
    329.38

    Type:
    Unknown

    AlogP:
    2.98

    Polar Surface Area:
    97.37

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  5. ALA4577252

    Name:
    4-Amino-5-(5-chlorothiophene-2-carbonyl)-2-[methyl(propan-2-yl)amino]thiophShow More

    Mol. Formula:
    C14H14ClN3OS2

    M.W.:
    339.87

    Type:
    Unknown

    AlogP:
    3.99

    Polar Surface Area:
    70.12

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  6. ALA4564918

    Name:
    4-Amino-5-(furan-2-carbonyl)-2-[(propan-2-yl)amino]thiophene-3-carbonitrile

    Mol. Formula:
    C13H13N3O2S

    M.W.:
    275.33

    Type:
    Unknown

    AlogP:
    2.85

    Polar Surface Area:
    92.05

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  7. ALA4563640

    Name:
    4-Amino-5-(3-cyanobenzoyl)-2-[(propan-2-yl)amino]thiophene-3-carbonitrile

    Mol. Formula:
    C16H14N4OS

    M.W.:
    310.38

    Type:
    Unknown

    AlogP:
    3.12

    Polar Surface Area:
    102.70

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  8. ALA4561737

    Name:
    4-Amino-5-(5-bromothiophene-2-carbonyl)-2-[(2-hydroxyethyl)amino]thiophene-Show More

    Mol. Formula:
    C12H10BrN3O2S2

    M.W.:
    372.27

    Type:
    Unknown

    AlogP:
    2.66

    Polar Surface Area:
    99.14

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  9. ALA4560455

    Name:
    4-Amino-2-[(propan-2-yl)amino]-5-(pyridine-3-carbonyl)thiophene-3-carbonitrShow More

    Mol. Formula:
    C14H14N4OS

    M.W.:
    286.36

    Type:
    Unknown

    AlogP:
    2.65

    Polar Surface Area:
    91.80

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  10. ALA4550638

    Name:
    4-amino-2-(isopropylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile

    Mol. Formula:
    C16H17N3OS

    M.W.:
    299.40

    Type:
    Unknown

    AlogP:
    3.56

    Polar Surface Area:
    78.91

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  11. ALA4549181

    Name:
    4-Amino-5-(4-cyanobenzoyl)-2-[(propan-2-yl)amino]thiophene-3-carbonitrile

    Mol. Formula:
    C16H14N4OS

    M.W.:
    310.38

    Type:
    Unknown

    AlogP:
    3.12

    Polar Surface Area:
    102.70

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  12. ALA4544167

    Name:
    4-Amino-5-(5-bromothiophene-2-carbonyl)-2-[(2-cyanophenyl)amino]thiophene-3Show More

    Mol. Formula:
    C17H9BrN4OS2

    M.W.:
    429.32

    Type:
    Unknown

    AlogP:
    4.87

    Polar Surface Area:
    102.70

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  13. ALA4543318

    Name:
    4-Amino-2-[(3-aminopropyl)amino]-5-(5-bromothiophene-2-carbonyl)thiophene-3Show More

    Mol. Formula:
    C13H13BrN4OS2

    M.W.:
    385.31

    Type:
    Unknown

    AlogP:
    3.02

    Polar Surface Area:
    104.93

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  14. ALA4538177

    Name:
    4-Amino-5-(4-chlorothiophene-2-carbonyl)-2-[(propan-2-yl)amino]thiophene-3-Show More

    Mol. Formula:
    C13H12ClN3OS2

    M.W.:
    325.85

    Type:
    Unknown

    AlogP:
    3.97

    Polar Surface Area:
    78.91

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  15. ALA4535071

    Name:
    4-Amino-5-[5-(3-hydroxyphenyl)thiophene-2-carbonyl]-2-[(propan-2-yl)amino]tShow More

    Mol. Formula:
    C19H17N3O2S2

    M.W.:
    383.50

    Type:
    Unknown

    AlogP:
    4.69

    Polar Surface Area:
    99.14

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  16. ALA4525991

    Name:
    4-Amino-2-[(propan-2-yl)amino]-5-[5-(pyridin-4-yl)thiophene-2-carbonyl]thioShow More

    Mol. Formula:
    C18H16N4OS2

    M.W.:
    368.49

    Type:
    Unknown

    AlogP:
    4.38

    Polar Surface Area:
    91.80

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  17. ALA4525206

    Name:
    4-Amino-5-(5-chlorothiophene-2-carbonyl)-2-[(propan-2-yl)amino]thiophene-3-Show More

    Mol. Formula:
    C13H14ClN3O2S2

    M.W.:
    343.86

    Type:
    Unknown

    AlogP:
    3.20

    Polar Surface Area:
    98.21

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  18. ALA4517341

    Name:
    4-Amino-5-(5-chlorothiophene-2-carbonyl)-2-[(2-fluorophenyl)amino]thiopheneShow More

    Mol. Formula:
    C16H9ClFN3OS2

    M.W.:
    377.85

    Type:
    Unknown

    AlogP:
    5.03

    Polar Surface Area:
    78.91

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  19. ALA4476804

    Name:
    2-{[4-Amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino}acetShow More

    Mol. Formula:
    C12H9BrN4O2S2

    M.W.:
    385.27

    Type:
    Unknown

    AlogP:
    2.15

    Polar Surface Area:
    122.00

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  20. ALA4471795

    Name:
    4-amino-2-(benzylamino)-5-(5-chlorothiophene-2-carbonyl)thiophene-3-carboniShow More

    Mol. Formula:
    C17H12ClN3OS2

    M.W.:
    373.89

    Type:
    Unknown

    AlogP:
    4.76

    Polar Surface Area:
    78.91

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
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