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  1. ALA4513992

    Name:
    (E)-(4-(3-(3-Cyanophenyl)acryloyl)phenyl)boronic a
    Show More

    Mol. Formula:
    C16H12BNO3

    M.W.:
    277.09

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA4513717

    Name:
    2-(Difluoromethyl)-4-methoxy-1-[4-(4-morpholinyl)-
    Show More

    Mol. Formula:
    C26H36ClF2N9O5S

    M.W.:
    660.15

    Type:
    Unknown

    AlogP:
    0.78

    Polar Surface Area:
    131.28

    HBA:
    13

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  3. ALA4483778

    Name:
    3,6,9,12,15-Pentaoxaheptadecane-1,17-diyl (1aR,1a'
    Show More

    Mol. Formula:
    C42H58O15

    M.W.:
    802.91

    Type:
    Unknown

    AlogP:
    3.67

    Polar Surface Area:
    176.41

    HBA:
    15

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  4. ALA4475868

    Name:
    2-((E)-2-((E)-3-(2-((E)-3,3-Dimethyl-1-propylindol
    Show More

    Mol. Formula:
    C48H60ClN5O5S

    M.W.:
    854.56

    Type:
    Unknown

    AlogP:
    8.44

    Polar Surface Area:
    119.93

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  5. ALA4538501

    Name:
    methyl 2-amino-3-[5-(4,4,5,5-tetramethyl-1,3,2-dio
    Show More

    Mol. Formula:
    C18H25BN2O4

    M.W.:
    344.22

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4537633

    Name:
    (E)-4-(3-(4-Hydroxy-3-(trifluoromethyl)phenyl)-3-o
    Show More

    Mol. Formula:
    C17H10F3NO2

    M.W.:
    317.27

    Type:
    Unknown

    AlogP:
    4.18

    Polar Surface Area:
    61.09

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  7. ALA4525458

    Name:
    methyl 2-azido-3-[2,7-bis(4,4,5,5-tetramethyl-1,3,
    Show More

    Mol. Formula:
    C24H34B2N4O6

    M.W.:
    496.18

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA4524968

    Name:
    sodium (2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,
    Show More

    Mol. Formula:
    C54H82N3NaO10

    M.W.:
    956.25

    Type:
    Unknown

    AlogP:
    9.62

    Polar Surface Area:
    171.69

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  9. ALA4521599

    Name:
    N-(4-aminophenyl)-3-(4-hydroxy-3-methoxyphenyl)acr
    Show More

    Mol. Formula:
    C16H16N2O3

    M.W.:
    284.31

    Type:
    Unknown

    AlogP:
    2.63

    Polar Surface Area:
    84.58

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  10. ALA4520670

    Name:
    Methyl-(E)-3-(3-(4-hydroxy-3-(trifluoromethyl)phen
    Show More

    Mol. Formula:
    C18H13F3O4

    M.W.:
    350.29

    Type:
    Unknown

    AlogP:
    4.09

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  11. ALA4520508

    Name:
    Methyl-(E)-3-(3-(4-hydroxyphenyl)-3-oxoprop-1-en-1
    Show More

    Mol. Formula:
    C17H14O4

    M.W.:
    282.30

    Type:
    Unknown

    AlogP:
    3.07

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  12. ALA4560739

    Name:
    (E)-4-(3-(3-Cyanophenyl)acryloyl)-N-cyclopropylben
    Show More

    Mol. Formula:
    C19H16N2O3S

    M.W.:
    352.42

    Type:
    Unknown

    AlogP:
    2.90

    Polar Surface Area:
    87.03

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  13. ALA4559479

    Name:
    2-(1H-indol-2-yl)aniline

    Cas Number:
    32566-01-1

    Mol. Formula:
    C14H12N2

    M.W.:
    208.26

    Type:
    Unknown

    AlogP:
    3.42

    Polar Surface Area:
    41.81

    HBA:
    1

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  14. ALA4570260

    Name:
    2-[[4-[4-[2-(difluoromethyl)-4-methoxy-1H-benzimid
    Show More

    Mol. Formula:
    C24H34ClF2N9O4S

    M.W.:
    618.11

    Type:
    Unknown

    AlogP:
    1.01

    Polar Surface Area:
    122.05

    HBA:
    12

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  15. ALA4569800

    Name:
    N-(1-((2R,4R,5R)-3,3-Difluoro-4-hydroxy-5-(hydroxy
    Show More

    Mol. Formula:
    C12H15F2N3O5S

    M.W.:
    351.33

    Type:
    Unknown

    AlogP:
    -0.61

    Polar Surface Area:
    113.68

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  16. ALA4567542

    Name:
    (E)-3-(4-Bromophenyl)-1-(3-hydroxyphenyl)prop-2-en
    Show More

    Mol. Formula:
    C15H11BrO2

    M.W.:
    303.16

    Type:
    Unknown

    AlogP:
    4.05

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  17. ALA4529607

    Name:
    5-(2-(1,3-dioxo-1-phenylbutan-2-ylidene)hydraziney
    Show More

    Mol. Formula:
    C16H14N2O9S2

    M.W.:
    442.43

    Type:
    Unknown

    AlogP:
    1.13

    Polar Surface Area:
    187.50

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  18. ALA4517739

    Name:
    6-benzoyl-2-methyl-5-phenyl-1H-pyrrolo[2,3-d]pyrim
    Show More

    Mol. Formula:
    C20H15N3O2

    M.W.:
    329.36

    Type:
    Unknown

    AlogP:
    3.46

    Polar Surface Area:
    78.61

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  19. ALA4743394

    Name:
    Pyrrospirone G

    Mol. Formula:
    C32H39NO5

    M.W.:
    517.67

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    92.70

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  20. ALA4742679

    Name:
    4-Amino-6-(4-chlorophenyl)-2-((2-(4-methyl-2-pheny
    Show More

    Mol. Formula:
    C23H16ClN5OS2

    M.W.:
    478.00

    Type:
    Unknown

    AlogP:
    5.66

    Polar Surface Area:
    105.55

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
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