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  1. ALA1095083

    Name:
    (2R*,4R*,6S*)-2-(4-Chlorophenyl)tetrahydro-4-pheny
    Show More

    Mol. Formula:
    C19H18ClNO2S

    M.W.:
    359.88

    Type:
    Small molecule

    AlogP:
    4.66

    Polar Surface Area:
    53.25

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  2. ALA2297190

    Name:
    (E)-3-(3,5-Dioxopyrazolidin-1-yl)-6-[2-(furan-2-yl
    Show More

    Mol. Formula:
    C12H9N5O4

    M.W.:
    287.24

    Type:
    Small molecule

    AlogP:
    -0.30

    Polar Surface Area:
    121.19

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  3. ALA5094747

    Name:
    Ethyl 1-(2-hydroxypropyl)-5-(3-(2-(trifluoromethyl
    Show More

    Mol. Formula:
    C18H21F3N4O4

    M.W.:
    414.38

    Type:
    Unknown

    AlogP:
    2.78

    Polar Surface Area:
    105.48

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  4. ALA5094198

    Name:
    Ethyl 5-(3-(2-fluorobenzyl)ureido)-1-(2-hydroxypro
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    Mol. Formula:
    C17H21FN4O4

    M.W.:
    364.38

    Type:
    Unknown

    AlogP:
    1.90

    Polar Surface Area:
    105.48

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  5. ALA5088240

    Name:
    Ethyl 1-(2-hydroxypentyl)-5-(3-(4-(trifluoromethyl
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    Mol. Formula:
    C20H25F3N4O4

    M.W.:
    442.44

    Type:
    Unknown

    AlogP:
    3.56

    Polar Surface Area:
    105.48

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  6. ALA5081309

    Name:
    Methyl (Z)-2-((Z)-4-oxo-3-phenyl-2-(((E)-4-(triflu
    Show More

    Mol. Formula:
    C20H14F3N3O3S

    M.W.:
    433.41

    Type:
    Unknown

    AlogP:
    4.23

    Polar Surface Area:
    71.33

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  7. ALA5080947

    Name:
    4-(5-(Phenylamino)-1,3,4-thiadiazol-2-yl)phenyl 1,
    Show More

    Mol. Formula:
    C20H10F13N3O3S2

    M.W.:
    651.43

    Type:
    Unknown

    AlogP:
    7.35

    Polar Surface Area:
    81.18

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  8. ALA5080674

    Name:
    Ethyl 5-(3-(4-fluorobenzyl)ureido)-1-(2-hydroxypro
    Show More

    Mol. Formula:
    C17H21FN4O4

    M.W.:
    364.38

    Type:
    Unknown

    AlogP:
    1.90

    Polar Surface Area:
    105.48

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  9. ALA5078972

    Name:
    N-Phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiad
    Show More

    Mol. Formula:
    C15H10F3N3S

    M.W.:
    321.33

    Type:
    Unknown

    AlogP:
    4.97

    Polar Surface Area:
    37.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  10. ALA5078432

    Name:
    Ethyl 5-(3-(3-fluorobenzyl)ureido)-1-(2-hydroxypen
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    Mol. Formula:
    C19H25FN4O4

    M.W.:
    392.43

    Type:
    Unknown

    AlogP:
    2.68

    Polar Surface Area:
    105.48

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  11. ALA4585882

    Name:
    (+/-)-2-Methoxyethyl 3-acetyl-4-(benzo[d][1,3]diox
    Show More

    Mol. Formula:
    C18H20N2O6S

    M.W.:
    392.43

    Type:
    Unknown

    AlogP:
    1.66

    Polar Surface Area:
    86.33

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  12. ALA4065090

    Name:
    1-(4-((6,7-Dimethoxy-2-methylquinolin-3-yl)oxy)phe
    Show More

    Mol. Formula:
    C26H22F3N3O4

    M.W.:
    497.47

    Type:
    Small molecule

    AlogP:
    7.02

    Polar Surface Area:
    81.71

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  13. ALA4473803

    Name:
    (+/-)-Benzyl 3-acetyl-4-(benzo[d][1,3]dioxol-5-yl)
    Show More

    Mol. Formula:
    C22H20N2O5S

    M.W.:
    424.48

    Type:
    Unknown

    AlogP:
    3.21

    Polar Surface Area:
    77.10

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  14. ALA4084506

    Name:
    N-(4-(3-Bromopropoxy)phenyl)-1-phenyl-1H-pyrazolo[
    Show More

    Mol. Formula:
    C20H18BrN5O

    M.W.:
    424.30

    Type:
    Small molecule

    AlogP:
    4.72

    Polar Surface Area:
    64.86

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  15. ALA4467584

    Name:
    (+/-)-Isobutyl 3-acetyl-4-(benzo[d][1,3]dioxol-5-y
    Show More

    Mol. Formula:
    C19H22N2O5S

    M.W.:
    390.46

    Type:
    Unknown

    AlogP:
    2.67

    Polar Surface Area:
    77.10

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  16. ALA4293233

    Name:
    Ethyl 1-methyl-6-((morpholine-4-carbonothioylthio)
    Show More

    Mol. Formula:
    C20H25N3O4S2

    M.W.:
    435.57

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    71.11

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  17. ALA4292842

    Name:
    Ethyl 6-((4,5-dihydrothiazol-2-ylthio)methyl)-1-me
    Show More

    Mol. Formula:
    C18H21N3O3S2

    M.W.:
    391.52

    Type:
    Small molecule

    AlogP:
    3.04

    Polar Surface Area:
    71.00

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  18. ALA4291192

    Name:
    Ethyl 6-((dicyclohexylcarbamothioylthio)methyl)-1-
    Show More

    Mol. Formula:
    C28H39N3O3S2

    M.W.:
    529.77

    Type:
    Small molecule

    AlogP:
    6.19

    Polar Surface Area:
    61.88

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  19. ALA4290119

    Name:
    Ethyl 6-((4-(4-methoxyphenyl)piperazine-1-carbonot
    Show More

    Mol. Formula:
    C27H32N4O4S2

    M.W.:
    540.71

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    74.35

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  20. ALA4289445

    Name:
    Ethyl 6-((1H-benzo[d]imidazol-2-ylthio)methyl)-1-m
    Show More

    Mol. Formula:
    C22H22N4O3S

    M.W.:
    422.51

    Type:
    Small molecule

    AlogP:
    3.87

    Polar Surface Area:
    87.32

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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