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  1. ALA5271820

    Name:
    (2R)-6-([1,1'-biphenyl]-4-ylmethoxy)-5,7-dibromo-N-((4-chloro-3-nitrophenylShow More

    Mol. Formula:
    C37H28Br2ClN3O8S

    M.W.:
    869.97

    Type:
    ---

    AlogP:
    9.01

    Polar Surface Area:
    158.75

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  2. ALA5270107

    Name:
    4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1Show More

    Mol. Formula:
    C56H55ClN10O12S

    M.W.:
    1127.63

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA5268884

    Name:
    (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-N-{4-Show More

    Mol. Formula:
    C72H72Cl3F2N11O9S

    M.W.:
    1411.86

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA5280830

    Name:
    (2R)-6-([1,1'-biphenyl]-4-ylmethoxy)-5,7-dibromo-N-((4-chloro-3-nitrophenylShow More

    Mol. Formula:
    C38H28Br2ClN3O6S

    M.W.:
    849.99

    Type:
    ---

    AlogP:
    8.97

    Polar Surface Area:
    139.40

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  5. ALA5279723

    Name:
    4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1Show More

    Mol. Formula:
    C60H63ClN10O14S

    M.W.:
    1215.74

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA5276934

    Name:
    4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1Show More

    Mol. Formula:
    C63H68ClN11O15S

    M.W.:
    1286.82

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA5283597

    Name:
    (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-N-[4-Show More

    Mol. Formula:
    C76H80Cl3F2N11O11S

    M.W.:
    1499.96

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA5283370

    Name:
    (4S,7S,13S,16S,19S,22S)-22-((S)-2-((S)-2-((2S,3S)-2-acetamido-3-methylpentaShow More

    Mol. Formula:
    C59H95N19O19

    M.W.:
    1374.52

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA5209197

    Name:
    rac-1-(4-(1-(4-Bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl)-3Show More

    Mol. Formula:
    C27H27BrN4O2

    M.W.:
    519.44

    Type:
    ---

    AlogP:
    6.36

    Polar Surface Area:
    73.80

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  10. ALA5205908

    Name:
    rac-N-(4-(5-(furan-2-yl)-1-(3-methylbenzoyl)-4,5-dihydro-1H-pyrazol-3-yl)phShow More

    Mol. Formula:
    C22H21N3O4S

    M.W.:
    423.49

    Type:
    ---

    AlogP:
    3.95

    Polar Surface Area:
    91.98

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  11. ALA5205655

    Name:
    rac-tert-Butyl (6-(1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)Show More

    Mol. Formula:
    C26H25BrN4O3

    M.W.:
    521.42

    Type:
    ---

    AlogP:
    6.18

    Polar Surface Area:
    83.89

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  12. ALA5204882

    Name:
    rac-N-(4-(5-(Furan-2-yl)-1-(4-(trifluoromethyl)benzoyl)-4,5-dihydro-1H-pyraShow More

    Mol. Formula:
    C22H18F3N3O4S

    M.W.:
    477.46

    Type:
    ---

    AlogP:
    4.66

    Polar Surface Area:
    91.98

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  13. ALA5204089

    Name:
    rac-N-(4-(5-(furan-2-yl)-1-(4-nitrobenzoyl)-4,5-dihydro-1H-pyrazol-3-yl)pheShow More

    Mol. Formula:
    C21H18N4O6S

    M.W.:
    454.46

    Type:
    ---

    AlogP:
    3.55

    Polar Surface Area:
    135.12

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  14. ALA5203263

    Name:
    rac-1-(4-(1-(4-Bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl)-3Show More

    Mol. Formula:
    C26H25BrN4O2

    M.W.:
    505.42

    Type:
    ---

    AlogP:
    5.97

    Polar Surface Area:
    73.80

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  15. ALA5203092

    Name:
    rac-N-(4-(1-benzoyl-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methaShow More

    Mol. Formula:
    C21H19N3O4S

    M.W.:
    409.47

    Type:
    ---

    AlogP:
    3.64

    Polar Surface Area:
    91.98

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  16. ALA5203025

    Name:
    rac-tert-butyl (4-(1-(4-bromobenzoyl)-5-(thiazol-2-yl)-4,5-dihydro-1H-pyrazShow More

    Mol. Formula:
    C24H23BrN4O3S

    M.W.:
    527.44

    Type:
    ---

    AlogP:
    6.24

    Polar Surface Area:
    83.89

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  17. ALA5202782

    Name:
    rac-methyl (4-(1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenShow More

    Mol. Formula:
    C24H20BrN3O3

    M.W.:
    478.35

    Type:
    ---

    AlogP:
    5.62

    Polar Surface Area:
    71.00

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  18. ALA5202671

    Name:
    rac-cyclopropyl (4-(1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-ylShow More

    Mol. Formula:
    C26H22BrN3O3

    M.W.:
    504.38

    Type:
    ---

    AlogP:
    6.15

    Polar Surface Area:
    71.00

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  19. ALA5202594

    Name:
    rac-isopropyl (4-(1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pShow More

    Mol. Formula:
    C26H24BrN3O3

    M.W.:
    506.40

    Type:
    ---

    AlogP:
    6.40

    Polar Surface Area:
    71.00

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  20. ALA5201820

    Name:
    rac-tert-butyl (4-(1-(4-bromobenzoyl)-5-(pyridin-4-yl)-4,5-dihydro-1H-pyrazShow More

    Mol. Formula:
    C26H25BrN4O3

    M.W.:
    521.42

    Type:
    ---

    AlogP:
    6.18

    Polar Surface Area:
    83.89

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
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