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  1. ALA4514452

    Name:
    N-[3-(6-Phenyl-4-{[(1R)-1-phenylethyl]amino}furo[2
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    Mol. Formula:
    C29H24N4O2

    M.W.:
    460.54

    Type:
    Unknown

    AlogP:
    6.85

    Polar Surface Area:
    80.05

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  2. ALA4513286

    Name:
    (R)-S,S'-(2-((4-((3-Chloro-4-((3-fluorobenzyl)oxy)
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    Mol. Formula:
    C34H32ClFN4O7S2

    M.W.:
    727.24

    Type:
    Unknown

    AlogP:
    6.07

    Polar Surface Area:
    170.87

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  3. ALA4476791

    Name:
    N-(2-Dimethylamino-4-methoxy-5-((4-benzamidopyrimi
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    Mol. Formula:
    C23H24N6O3

    M.W.:
    432.48

    Type:
    Unknown

    AlogP:
    3.67

    Polar Surface Area:
    108.48

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  4. ALA4476265

    Name:
    5-{[2-(4-Chlorophenyl)-1H-benzimidazol-1-yl]methyl
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    Mol. Formula:
    C23H25ClN6S

    M.W.:
    453.02

    Type:
    Unknown

    AlogP:
    5.14

    Polar Surface Area:
    54.67

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  5. ALA4475780

    Name:
    4-[N-acryloyl-(4-chloro-2-fluorophenyl)amino]-6-[3
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    Mol. Formula:
    C25H26ClFN4O4

    M.W.:
    500.96

    Type:
    Unknown

    AlogP:
    4.38

    Polar Surface Area:
    77.02

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  6. ALA4475546

    Name:
    N-[3-(6-Chloro-4-{[(1S)-2-hydroxy-1-phenylethyl]am
    Show More

    Mol. Formula:
    C23H19ClN4O2S

    M.W.:
    450.95

    Type:
    Unknown

    AlogP:
    5.28

    Polar Surface Area:
    87.14

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  7. ALA4475098

    Name:
    N-(4-((6,7-dimethoxyquinazolin-4-yl)amino)-3-fluor
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    Mol. Formula:
    C32H26FN5O4

    M.W.:
    563.59

    Type:
    Unknown

    AlogP:
    5.87

    Polar Surface Area:
    105.68

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  8. ALA4474651

    Name:
    2-{[2-(4-Chlorophenyl)-1H-benzimidazol-1-yl]acetyl
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    Mol. Formula:
    C18H18ClN5OS

    M.W.:
    387.90

    Type:
    Unknown

    AlogP:
    2.87

    Polar Surface Area:
    70.98

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  9. ALA4474541

    Name:
    N-{3-[7-(2-Methoxy-4-morpholin-4-yl-phenylamino)-4
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    Mol. Formula:
    C28H26N8O4

    M.W.:
    538.57

    Type:
    Unknown

    AlogP:
    3.14

    Polar Surface Area:
    127.91

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  10. ALA4474196

    Name:
    (R)-6-(2-chloro-3-fluorophenyl)-5-methyl-2-((3-met
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    Mol. Formula:
    C34H39ClFN7O2

    M.W.:
    632.18

    Type:
    Unknown

    AlogP:
    5.94

    Polar Surface Area:
    86.60

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  11. ALA4540442

    Name:
    N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-5-((4
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    Mol. Formula:
    C27H36N8O4S

    M.W.:
    568.70

    Type:
    Unknown

    AlogP:
    3.35

    Polar Surface Area:
    132.03

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  12. ALA4540305

    Name:
    N-(3-fluoro-4-((6-methoxy-7-((1-methylpiperidin-4-
    Show More

    Mol. Formula:
    C29H30FN5O3

    M.W.:
    515.59

    Type:
    Unknown

    AlogP:
    5.49

    Polar Surface Area:
    88.61

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  13. ALA4540295

    Name:
    N-(2-(4-Methylpiperazin-1-yl)-4-methoxy-5-((4-(4-t
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    Mol. Formula:
    C27H28F3N7O3

    M.W.:
    555.56

    Type:
    Unknown

    AlogP:
    4.38

    Polar Surface Area:
    111.72

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  14. ALA4540138

    Name:
    4-(4-(3-bromophenylamino)quinazolin-6-ylamino)-N,N
    Show More

    Mol. Formula:
    C26H27Br2N7O3

    M.W.:
    645.36

    Type:
    Unknown

    AlogP:
    5.15

    Polar Surface Area:
    114.98

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  15. ALA4539566

    Name:
    5-methyl-2-((4-methylbenzyl)thio)-[1,2,4]triazolo[
    Show More

    Mol. Formula:
    C14H14N4OS

    M.W.:
    286.36

    Type:
    Unknown

    AlogP:
    2.33

    Polar Surface Area:
    63.05

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  16. ALA4539558

    Name:
    Spongiacidin B

    Mol. Formula:
    C11H10BrN5O2

    M.W.:
    324.14

    Type:
    Unknown

    AlogP:
    0.28

    Polar Surface Area:
    109.87

    HBA:
    3

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  17. ALA4538810

    Name:
    5-{[2-(4-Chlorophenyl)-1H-benzimidazol-1-yl]methyl
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    Mol. Formula:
    C22H23ClN6OS

    M.W.:
    454.99

    Type:
    Unknown

    AlogP:
    3.99

    Polar Surface Area:
    63.90

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  18. ALA4538066

    Name:
    2-cyclohexyl-N-(3-fluoro-4-((6-methoxy-7-((1-methy
    Show More

    Mol. Formula:
    C38H43FN6O4

    M.W.:
    666.80

    Type:
    Unknown

    AlogP:
    6.79

    Polar Surface Area:
    108.92

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  19. ALA4537004

    Name:
    1-(2,6-dichlorophenyl)-3-(6-((3-fluoro-5-methylphe
    Show More

    Mol. Formula:
    C18H14Cl2FN5O

    M.W.:
    406.25

    Type:
    Unknown

    AlogP:
    5.62

    Polar Surface Area:
    78.94

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  20. ALA4536512

    Name:
    5-[(2-Phenyl-1H-benzimidazol-1-yl)methyl]-4-[2-(pi
    Show More

    Mol. Formula:
    C23H26N6S

    M.W.:
    418.57

    Type:
    Unknown

    AlogP:
    4.49

    Polar Surface Area:
    54.67

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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