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  1. ALA4744806

    Name:
    Petrosamide B

    Mol. Formula:
    C41H56N6O10

    M.W.:
    792.93

    Type:
    Unknown

    AlogP:
    1.31

    Polar Surface Area:
    223.78

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  2. ALA4760063

    Name:
    N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
    Show More

    Mol. Formula:
    C28H30N6O3

    M.W.:
    498.59

    Type:
    Unknown

    AlogP:
    4.74

    Polar Surface Area:
    104.54

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  3. ALA4758350

    Name:
    N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
    Show More

    Mol. Formula:
    C29H30N6O2S

    M.W.:
    526.67

    Type:
    Unknown

    AlogP:
    5.86

    Polar Surface Area:
    84.31

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  4. ALA4782665

    Name:
    Petrosamide A

    Mol. Formula:
    C40H54N6O10

    M.W.:
    778.90

    Type:
    Unknown

    AlogP:
    0.92

    Polar Surface Area:
    223.78

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  5. ALA4781799

    Name:
    N-(5-((5-chloro-4-(1-cyclopropyl-1H-indol-3-yl)pyr
    Show More

    Mol. Formula:
    C29H31ClN6O2S

    M.W.:
    563.13

    Type:
    Unknown

    AlogP:
    6.62

    Polar Surface Area:
    84.31

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  6. ALA4752548

    Name:
    N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
    Show More

    Mol. Formula:
    C28H29N5O4S

    M.W.:
    531.64

    Type:
    Unknown

    AlogP:
    5.07

    Polar Surface Area:
    113.36

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  7. ALA4796376

    Name:
    N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
    Show More

    Mol. Formula:
    C29H32N6O2S

    M.W.:
    528.68

    Type:
    Unknown

    AlogP:
    6.11

    Polar Surface Area:
    84.31

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  8. ALA4796010

    Name:
    N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
    Show More

    Mol. Formula:
    C29H32N6O3S

    M.W.:
    544.68

    Type:
    Unknown

    AlogP:
    4.98

    Polar Surface Area:
    107.37

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  9. ALA4793880

    Name:
    N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
    Show More

    Mol. Formula:
    C29H32N6O2S

    M.W.:
    528.68

    Type:
    Unknown

    AlogP:
    5.96

    Polar Surface Area:
    84.31

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  10. ALA4787215

    Name:
    N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
    Show More

    Mol. Formula:
    C29H32N6O3S

    M.W.:
    544.68

    Type:
    Unknown

    AlogP:
    5.12

    Polar Surface Area:
    107.37

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  11. ALA4857187

    Name:
    N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(4-(7-(
    Show More

    Mol. Formula:
    C44H47ClFN9O7

    M.W.:
    868.37

    Type:
    Unknown

    AlogP:
    5.67

    Polar Surface Area:
    195.27

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  12. ALA4879238

    Name:
    N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(4-((2-
    Show More

    Mol. Formula:
    C39H37ClFN9O7

    M.W.:
    798.23

    Type:
    Unknown

    AlogP:
    3.72

    Polar Surface Area:
    195.27

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  13. ALA4878992

    Name:
    N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(4-(5-(
    Show More

    Mol. Formula:
    C42H43ClFN9O7

    M.W.:
    840.31

    Type:
    Unknown

    AlogP:
    4.89

    Polar Surface Area:
    195.27

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  14. ALA5281227

    Name:
    N-(6-bromonaphthalen-2-yl)-6-fluoroquinazolin-4-am
    Show More

    Mol. Formula:
    C18H11BrFN3

    M.W.:
    368.21

    Type:
    ---

    AlogP:
    5.43

    Polar Surface Area:
    37.81

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  15. ALA5281184

    Name:
    6-fluoro-N-(4-(pyridin-3-yl)phenethyl)quinazolin-4
    Show More

    Mol. Formula:
    C21H17FN4

    M.W.:
    344.39

    Type:
    ---

    AlogP:
    4.49

    Polar Surface Area:
    50.70

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  16. ALA5280170

    Name:
    6-fluoro-N-(2-(3'-methoxy-[1,1'-biphenyl]-4-yl)eth
    Show More

    Mol. Formula:
    C23H20FN3O

    M.W.:
    373.43

    Type:
    ---

    AlogP:
    5.10

    Polar Surface Area:
    47.04

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  17. ALA5279831

    Name:
    N-(2-([1,1'-biphenyl]-3-yl)ethyl)-6-fluoroquinazol
    Show More

    Mol. Formula:
    C22H18FN3

    M.W.:
    343.41

    Type:
    ---

    AlogP:
    5.09

    Polar Surface Area:
    37.81

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  18. ALA5279821

    Name:
    6-fluoro-N-(4-(4-fluorophenoxy)phenethyl)quinazoli
    Show More

    Mol. Formula:
    C22H17F2N3O

    M.W.:
    377.39

    Type:
    ---

    AlogP:
    5.35

    Polar Surface Area:
    47.04

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  19. ALA5279674

    Name:
    N-(3-bromophenethyl)-6-fluoroquinazolin-4-amine

    Mol. Formula:
    C16H13BrFN3

    M.W.:
    346.20

    Type:
    ---

    AlogP:
    4.19

    Polar Surface Area:
    37.81

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  20. ALA5279573

    Name:
    Ageleste B

    Mol. Formula:
    C20H22Br2N4O6

    M.W.:
    574.23

    Type:
    ---

    AlogP:
    1.85

    Polar Surface Area:
    142.38

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
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