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  1. ALA4555080

    Name:
    6-{1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl}-N
    Show More

    Mol. Formula:
    C22H21N3O5S

    M.W.:
    439.49

    Type:
    Unknown

    AlogP:
    3.28

    Polar Surface Area:
    116.67

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  2. ALA4529344

    Name:
    3-{[(8-Hydroxyquinolin-5-yl)methyl]amino}-N-phenyl
    Show More

    Mol. Formula:
    C19H19N3O2

    M.W.:
    321.38

    Type:
    Unknown

    AlogP:
    3.06

    Polar Surface Area:
    74.25

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  3. ALA4526272

    Name:
    3-{[(5-Chloro-8-hydroxyquinolin-7-yl)methyl]amino}
    Show More

    Mol. Formula:
    C24H25ClN4O2

    M.W.:
    436.94

    Type:
    Unknown

    AlogP:
    4.22

    Polar Surface Area:
    90.04

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  4. ALA4762293

    Name:
    N-(4-fluorophenyl)-4-(4-oxo-1,4,5,6,7,8-hexahydroq
    Show More

    Mol. Formula:
    C18H20FN3O2S

    M.W.:
    361.44

    Type:
    Unknown

    AlogP:
    3.30

    Polar Surface Area:
    74.85

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  5. ALA4756867

    Name:
    rac-(R*,R*)-2-Amino-3-hydroxy-1-(4-[(4-([4-(hydrox
    Show More

    Mol. Formula:
    C26H32N2O5S

    M.W.:
    484.62

    Type:
    Unknown

    AlogP:
    1.09

    Polar Surface Area:
    120.93

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  6. ALA4580239

    Name:
    5-{[(8-Hydroxyquinolin-5-yl)methyl]amino}-N-phenyl
    Show More

    Mol. Formula:
    C21H23N3O2

    M.W.:
    349.43

    Type:
    Unknown

    AlogP:
    3.84

    Polar Surface Area:
    74.25

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  7. ALA5281827

    Name:
    1-((N-benzyl-4-methoxyphenyl)sulfonamido)-5-(tert-
    Show More

    Mol. Formula:
    C29H30N2O5S

    M.W.:
    518.64

    Type:
    ---

    AlogP:
    5.66

    Polar Surface Area:
    95.94

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  8. ALA5278767

    Name:
    N-hydroxy-4-(1-((4-methoxyphenyl)sulfonyl)-2,2-dim
    Show More

    Mol. Formula:
    C24H24F3N3O5S

    M.W.:
    523.53

    Type:
    ---

    AlogP:
    4.48

    Polar Surface Area:
    99.18

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  9. ALA5278204

    Name:
    N-hydroxy-2-((4-methoxy-N-methylphenyl)sulfonamido
    Show More

    Mol. Formula:
    C21H27N3O6S

    M.W.:
    449.53

    Type:
    ---

    AlogP:
    1.78

    Polar Surface Area:
    108.41

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  10. ALA5278145

    Name:
    (R)-(1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3
    Show More

    Mol. Formula:
    C22H22F3N3O8S

    M.W.:
    545.49

    Type:
    ---

    AlogP:
    3.09

    Polar Surface Area:
    153.55

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  11. ALA4854379

    Name:
    2-(2-mercaptocyclopentylthio)-4-methyl-N-(1-(methy
    Show More

    Mol. Formula:
    C21H32N2O2S2

    M.W.:
    408.63

    Type:
    Unknown

    AlogP:
    3.46

    Polar Surface Area:
    58.20

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  12. ALA5285908

    Name:
    (S)-2-decyl-N4-hydroxy-N1-((S)-2-(methylamino)-2-o
    Show More

    Mol. Formula:
    C23H37N3O4

    M.W.:
    419.57

    Type:
    ---

    AlogP:
    3.63

    Polar Surface Area:
    107.53

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  13. ALA5285851

    Name:
    (2R,3S)-2-(cyclopentylmethyl)-3-hydroxy-4-(hydroxy
    Show More

    Mol. Formula:
    C20H34N4O5

    M.W.:
    410.52

    Type:
    ---

    AlogP:
    2.46

    Polar Surface Area:
    137.58

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  14. ALA4868252

    Name:
    N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(5-phenyl-1,3
    Show More

    Mol. Formula:
    C18H15N3O4S

    M.W.:
    369.40

    Type:
    Unknown

    AlogP:
    2.87

    Polar Surface Area:
    86.48

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  15. ALA5289570

    Name:
    3-(2-(benzylthio)ethyl)-N-hydroxy-1-((4-methoxyphe
    Show More

    Mol. Formula:
    C23H30N2O5S2

    M.W.:
    478.64

    Type:
    ---

    AlogP:
    3.54

    Polar Surface Area:
    95.94

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  16. ALA5287905

    Name:
    (2S)-3-methyl-2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl
    Show More

    Mol. Formula:
    C18H19NO4S2

    M.W.:
    377.49

    Type:
    ---

    AlogP:
    2.84

    Polar Surface Area:
    83.47

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  17. ALA4088630

    Name:
    N-hydroxy-4-(4-methoxyphenylsulfonyl)-2,2-dimethyl
    Show More

    Mol. Formula:
    C14H20N2O5S2

    M.W.:
    360.46

    Type:
    Small molecule

    AlogP:
    1.09

    Polar Surface Area:
    95.94

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  18. ALA4081278

    Name:
    (9S,12S,15S,18S)-12-((1H-imidazol-4-yl)methyl)-3-(
    Show More

    Mol. Formula:
    C49H67N13O13S

    M.W.:
    1078.22

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA4747965

    Name:
    2-Amino-2-[(4-([3-((2-[(1S)-1-hydroxyethyl]-1H-imi
    Show More

    Mol. Formula:
    C21H24N4O5

    M.W.:
    412.45

    Type:
    Unknown

    AlogP:
    0.43

    Polar Surface Area:
    139.79

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  20. ALA4646589

    Name:
    NA

    Mol. Formula:
    C47H58N14O8

    M.W.:
    947.07

    Type:
    Unknown

    AlogP:
    -0.62

    Polar Surface Area:
    321.54

    HBA:
    13

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
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