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  1. ALA5208735

    Name:
    (2S)-2-[[8-(cyclohexoxy)-2-(3-fluoro-4-methoxy-phenyl)-1-oxo-pyrido[2,1-b][Show More

    Mol. Formula:
    C34H31FN2O7S

    M.W.:
    630.69

    Type:
    ---

    AlogP:
    6.17

    Polar Surface Area:
    126.57

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  2. ALA5203417

    Name:
    N2-(2-(trifluoromethoxy)phenyl)-N4-(4-(trifluoromethoxy)phenyl)pyrimidine-2Show More

    Mol. Formula:
    C18H12F6N4O2

    M.W.:
    430.31

    Type:
    ---

    AlogP:
    5.76

    Polar Surface Area:
    68.30

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  3. ALA5197404

    Name:
    N2-(3-(trifluoromethoxy)phenyl)-N4-(4-(trifluoromethoxy)phenyl)pyrimidine-2Show More

    Mol. Formula:
    C18H12F6N4O2

    M.W.:
    430.31

    Type:
    ---

    AlogP:
    5.76

    Polar Surface Area:
    68.30

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  4. ALA5194803

    Name:
    N2-(3-(trifluoromethoxy)phenyl)-N4-(4-(trifluoromethyl)phenyl)pyrimidine-2,Show More

    Mol. Formula:
    C18H12F6N4O

    M.W.:
    414.31

    Type:
    ---

    AlogP:
    5.88

    Polar Surface Area:
    59.07

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  5. ALA5189366

    Name:
    N4-benzyl-N2-(2-(trifluoromethoxy)phenyl)pyrimidine-2,4-diamine

    Mol. Formula:
    C18H15F3N4O

    M.W.:
    360.34

    Type:
    ---

    AlogP:
    4.73

    Polar Surface Area:
    59.07

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  6. ALA5186175

    Name:
    N4-(2-methyl-4-(trifluoromethoxy)phenyl)-N2-(2-(trifluoromethoxy)phenyl)pyrShow More

    Mol. Formula:
    C19H14F6N4O2

    M.W.:
    444.34

    Type:
    ---

    AlogP:
    6.07

    Polar Surface Area:
    68.30

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  7. ALA5170015

    Name:
    N4-(2-methyl-4-(trifluoromethoxy)phenyl)-N2-(3-(trifluoromethoxy)phenyl)pyrShow More

    Mol. Formula:
    C19H14F6N4O2

    M.W.:
    444.34

    Type:
    ---

    AlogP:
    6.07

    Polar Surface Area:
    68.30

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  8. ALA4649364

    Name:
    5'-chloro-1-[(4-methylsulfonylphenyl)methyl]spiro[5,7-dihydropyrazolo[3,4-bShow More

    Mol. Formula:
    C21H17ClN4O4S

    M.W.:
    456.91

    Type:
    Unknown

    AlogP:
    2.57

    Polar Surface Area:
    110.16

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  9. ALA4648032

    Name:
    4-[(5'-chloro-2',6-dioxo-spiro[5,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indoShow More

    Mol. Formula:
    C21H15ClN4O4

    M.W.:
    422.83

    Type:
    Unknown

    AlogP:
    2.86

    Polar Surface Area:
    113.32

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  10. ALA4646275

    Name:
    1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5'-chloro-spiro[5,7-dihydropyrazShow More

    Mol. Formula:
    C22H13ClF6N4O2

    M.W.:
    514.81

    Type:
    Unknown

    AlogP:
    5.20

    Polar Surface Area:
    76.02

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  11. ALA4645424

    Name:
    5'-chloro-1-[(4-chloro-2-fluoro-phenyl)methyl]spiro[5,7-dihydropyrazolo[3,4Show More

    Mol. Formula:
    C20H13Cl2FN4O2

    M.W.:
    431.25

    Type:
    Unknown

    AlogP:
    3.96

    Polar Surface Area:
    76.02

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  12. ALA4645097

    Name:
    5'-chloro-1-[(4-chlorophenyl)methyl]-2',6-dioxo-spiro[5,7-dihydropyrrolo[2,Show More

    Mol. Formula:
    C22H14Cl2N4O2

    M.W.:
    437.29

    Type:
    Unknown

    AlogP:
    4.30

    Polar Surface Area:
    86.92

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  13. ALA4643269

    Name:
    5'-chloro-2-[(3,4-dichlorophenyl)methyl]spiro[5,7-dihydropyrazolo[3,4-b]pyrShow More

    Mol. Formula:
    C20H13Cl3N4O2

    M.W.:
    447.71

    Type:
    Unknown

    AlogP:
    4.47

    Polar Surface Area:
    76.02

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  14. ALA4642971

    Name:
    5-acetyl-5'-chloro-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[3,4-Show More

    Mol. Formula:
    C22H16Cl2N4O3

    M.W.:
    455.30

    Type:
    Unknown

    AlogP:
    3.63

    Polar Surface Area:
    93.09

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  15. ALA4642472

    Name:
    5'-chloro-1-[(4-chlorophenyl)methyl]-2',6-dioxo-spiro[5,7-dihydropyrazolo[3Show More

    Mol. Formula:
    C21H13Cl2N5O2

    M.W.:
    438.27

    Type:
    Unknown

    AlogP:
    3.57

    Polar Surface Area:
    99.81

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  16. ALA4640773

    Name:
    4-[(5'-chloro-2',6-dioxo-spiro[5,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indoShow More

    Mol. Formula:
    C21H14ClN5O2

    M.W.:
    403.83

    Type:
    Unknown

    AlogP:
    3.04

    Polar Surface Area:
    99.81

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  17. ALA4639442

    Name:
    methyl 4-[(5'-chloro-2',6-dioxo-spiro[5,7-dihydropyrazolo[3,4-b]pyridine-4,Show More

    Mol. Formula:
    C22H17ClN4O4

    M.W.:
    436.86

    Type:
    Unknown

    AlogP:
    2.95

    Polar Surface Area:
    102.32

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  18. ALA4639227

    Name:
    5'-chloro-1-[(3,4-dichlorophenyl)methyl]spiro[5,7-dihydropyrazolo[3,4-b]pyrShow More

    Mol. Formula:
    C20H13Cl3N4O2

    M.W.:
    447.71

    Type:
    Unknown

    AlogP:
    4.47

    Polar Surface Area:
    76.02

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  19. ALA4638806

    Name:
    5'-chloro-1-[(4-chloro-3-fluoro-phenyl)methyl]spiro[5,7-dihydropyrazolo[3,4Show More

    Mol. Formula:
    C20H13Cl2FN4O2

    M.W.:
    431.25

    Type:
    Unknown

    AlogP:
    3.96

    Polar Surface Area:
    76.02

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  20. ALA4637828

    Name:
    5'-chloro-1-[(4-fluorophenyl)methyl]spiro[5,7-dihydropyrazolo[3,4-b]pyridinShow More

    Mol. Formula:
    C20H14ClFN4O2

    M.W.:
    396.81

    Type:
    Unknown

    AlogP:
    3.30

    Polar Surface Area:
    76.02

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
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