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  1. ALA5093974

    Name:
    3-(6-(((5-amino-1,3,4-thiadiazol-2-yl)amino)methyl)-1-(1-(1,3-dimethyl-1H-pShow More

    Mol. Formula:
    C28H32ClN9S2

    M.W.:
    594.21

    Type:
    Unknown

    AlogP:
    4.87

    Polar Surface Area:
    115.84

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  2. ALA5093613

    Name:
    3-(6-((3-methylureido)methyl)-1-(1-((trifluoromethyl)sulfonyl)piperidin-4-yShow More

    Mol. Formula:
    C24H26F3N5O3S2

    M.W.:
    553.63

    Type:
    Unknown

    AlogP:
    3.86

    Polar Surface Area:
    109.46

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  3. ALA5091776

    Name:
    N-((3-(3-carbamothioylphenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)-1H-indolShow More

    Mol. Formula:
    C32H43N5O3S2

    M.W.:
    609.86

    Type:
    Unknown

    AlogP:
    4.67

    Polar Surface Area:
    100.67

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  4. ALA5091720

    Name:
    3-(6-(((5-amino-1,3,4-thiadiazol-2-yl)amino)methyl)-1-(2-methyltetrahydro-2Show More

    Mol. Formula:
    C24H26N6OS2

    M.W.:
    478.65

    Type:
    Unknown

    AlogP:
    4.73

    Polar Surface Area:
    104.01

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  5. ALA5090232

    Name:
    3-(6-amino-1-(3-methyl-1-(methylsulfonyl)piperidin-4-yl)-1H-indol-3-yl)benzShow More

    Mol. Formula:
    C22H26N4O2S2

    M.W.:
    442.61

    Type:
    Unknown

    AlogP:
    3.37

    Polar Surface Area:
    94.35

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  6. ALA5090220

    Name:
    3-(6-(((5-amino-4H-1,2,4-triazol-3-yl)amino)methyl)-1-(tetrahydro-2H-pyran-Show More

    Mol. Formula:
    C23H26ClN7OS

    M.W.:
    484.03

    Type:
    Unknown

    AlogP:
    3.61

    Polar Surface Area:
    119.80

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  7. ALA5090089

    Name:
    N-(3-(3-carbamothioylphenyl)-1-(1-((trifluoromethyl)sulfonyl)piperidin-4-ylShow More

    Mol. Formula:
    C46H64F3N7O11S3

    M.W.:
    1044.25

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA5089081

    Name:
    N-((3-(3-carbamothioylphenyl)-1-(3-methyl-1-(methylsulfonyl)piperidin-4-yl)Show More

    Mol. Formula:
    C28H35N5O3S2

    M.W.:
    553.75

    Type:
    Unknown

    AlogP:
    2.96

    Polar Surface Area:
    100.67

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  9. ALA5088996

    Name:
    3-(6-(((5-amino-1,3,4-thiadiazol-2-yl)amino)methyl)-1-(1-(thiazol-2-yl)pipeShow More

    Mol. Formula:
    C26H26N8S3

    M.W.:
    546.75

    Type:
    Unknown

    AlogP:
    5.29

    Polar Surface Area:
    110.91

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  10. ALA5088941

    Name:
    N-(3-(3-carbamothioylphenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)-1H-indol-Show More

    Mol. Formula:
    C50H75N7O13S3

    M.W.:
    1078.39

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA5088773

    Name:
    N-((3-(3-carbamothioylphenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)-1H-indolShow More

    Mol. Formula:
    C29H37N5O4S2

    M.W.:
    583.78

    Type:
    Unknown

    AlogP:
    2.73

    Polar Surface Area:
    109.90

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  12. ALA5088422

    Name:
    N-(3-(3-carbamothioylphenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)-1H-indol-Show More

    Mol. Formula:
    C25H30N4O4S2

    M.W.:
    514.67

    Type:
    Unknown

    AlogP:
    3.51

    Polar Surface Area:
    106.66

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  13. ALA5088124

    Name:
    3-(6-(((5-amino-1,3,4-thiadiazol-2-yl)amino)methyl)-1-(1-(isopropylsulfonylShow More

    Mol. Formula:
    C26H31N7O2S3

    M.W.:
    569.78

    Type:
    Unknown

    AlogP:
    4.36

    Polar Surface Area:
    132.16

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  14. ALA5087893

    Name:
    N-((3-(3-carbamothioylphenyl)-1-(4,4-difluorocyclohexyl)-1H-indol-6-yl)methShow More

    Mol. Formula:
    C26H29ClF2N4OS

    M.W.:
    519.06

    Type:
    Unknown

    AlogP:
    4.53

    Polar Surface Area:
    72.08

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  15. ALA5087846

    Name:
    N-(3-(3-carbamothioylphenyl)-1-(4,4-difluorocyclohexyl)-1H-indol-6-yl)-9-(5Show More

    Mol. Formula:
    C42H49F2N5O3S2

    M.W.:
    774.02

    Type:
    Unknown

    AlogP:
    9.56

    Polar Surface Area:
    109.46

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  16. ALA5086723

    Name:
    N-((3-(3-carbamothioylphenyl)-1-(1-((3-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-tShow More

    Mol. Formula:
    C43H50N8O5S3

    M.W.:
    855.12

    Type:
    Unknown

    AlogP:
    5.55

    Polar Surface Area:
    183.45

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  17. ALA5086700

    Name:
    3-(4-methoxy-1H-indol-3-yl)benzothioamide

    Mol. Formula:
    C16H14N2OS

    M.W.:
    282.37

    Type:
    Unknown

    AlogP:
    3.48

    Polar Surface Area:
    51.04

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  18. ALA5086292

    Name:
    N-(3-(3-carbamothioylphenyl)-1-(3-fluoro-2-(fluoromethyl)propyl)-1H-indol-6Show More

    Mol. Formula:
    C23H25F2N3O2S

    M.W.:
    445.54

    Type:
    Unknown

    AlogP:
    4.47

    Polar Surface Area:
    69.28

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  19. ALA5086174

    Name:
    3-(6-amino-1-(2-methyl-1-(methylsulfonyl)piperidin-4-yl)-1H-indol-3-yl)benzShow More

    Mol. Formula:
    C22H26N4O2S2

    M.W.:
    442.61

    Type:
    Unknown

    AlogP:
    3.51

    Polar Surface Area:
    94.35

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  20. ALA5085540

    Name:
    N-(3-(3-carbamothioylphenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)-1H-indol-Show More

    Mol. Formula:
    C42H59N7O9S3

    M.W.:
    902.17

    Type:
    Unknown

    AlogP:
    3.78

    Polar Surface Area:
    204.58

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
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