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  1. ALA4524108

    Name:
    (1-Aza-bicyclo[2.2.2]oct-2-yl)-furan-2-yl-methanol

    Mol. Formula:
    C12H17NO2

    M.W.:
    207.27

    Type:
    Unknown

    AlogP:
    1.80

    Polar Surface Area:
    36.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.80

    DETAILS
  2. ALA4524107

    Name:
    1-(1-Aza-bicyclo[2.2.2]oct-2-yl)-2,2-dimethyl-prop
    Show More

    Mol. Formula:
    C12H23NO

    M.W.:
    197.32

    Type:
    Unknown

    AlogP:
    1.88

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.69

    DETAILS
  3. ALA4524106

    Name:
    (1-Aza-bicyclo[2.2.2]oct-2-yl)-p-tolyl-methanol

    Mol. Formula:
    C15H21NO

    M.W.:
    231.34

    Type:
    Unknown

    AlogP:
    2.51

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.85

    DETAILS
  4. ALA4524105

    Name:
    (1-Aza-bicyclo[2.2.2]oct-2-yl)-(4-chloro-phenyl)-m
    Show More

    Mol. Formula:
    C14H18ClNO

    M.W.:
    251.76

    Type:
    Unknown

    AlogP:
    2.86

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.87

    DETAILS
  5. ALA4524104

    Name:
    (1-Aza-bicyclo[2.2.2]oct-2-yl)-pyridin-4-yl-methan
    Show More

    Mol. Formula:
    C13H18N2O

    M.W.:
    218.30

    Type:
    Unknown

    AlogP:
    1.60

    Polar Surface Area:
    36.36

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.82

    DETAILS
  6. ALA4524103

    Name:
    (1-Aza-bicyclo[2.2.2]oct-2-yl)-(1-methyl-1H-imidaz
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    Mol. Formula:
    C12H19N3O

    M.W.:
    221.30

    Type:
    Unknown

    AlogP:
    0.94

    Polar Surface Area:
    41.29

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  7. ALA4524102

    Name:
    (1-Aza-bicyclo[2.2.2]oct-2-yl)-thiazol-2-yl-methan
    Show More

    Mol. Formula:
    C11H16N2OS

    M.W.:
    224.33

    Type:
    Unknown

    AlogP:
    1.66

    Polar Surface Area:
    36.36

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  8. ALA4524101

    Name:
    (1-Aza-bicyclo[2.2.2]oct-2-yl)-phenyl-methanol

    Mol. Formula:
    C14H19NO

    M.W.:
    217.31

    Type:
    Unknown

    AlogP:
    2.20

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.82

    DETAILS
  9. ALA4524061

    Name:
    (1-Aza-bicyclo[2.2.2]oct-2-yl)-(5-bromo-2-methoxy-
    Show More

    Mol. Formula:
    C22H26BrNO3

    M.W.:
    432.36

    Type:
    Unknown

    AlogP:
    4.19

    Polar Surface Area:
    41.93

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  10. ALA4524060

    Name:
    (1-Aza-bicyclo[2.2.2]oct-2-yl)-(5-bromo-2-methoxy-
    Show More

    Mol. Formula:
    C22H26BrNO3

    M.W.:
    432.36

    Type:
    Unknown

    AlogP:
    4.19

    Polar Surface Area:
    41.93

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  11. ALA4217308

    Name:
    4-(3',5'-Dichloro-4'-hydroxy-3-biphenyl)-5-phenyli
    Show More

    Mol. Formula:
    C22H13Cl2NO4

    M.W.:
    426.26

    Type:
    Small molecule

    AlogP:
    6.39

    Polar Surface Area:
    83.56

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  12. ALA4214022

    Name:
    4-(3',5'-Dichloro-4'-hydroxy-3-biphenyl)-5-methyli
    Show More

    Mol. Formula:
    C17H11Cl2NO4

    M.W.:
    364.18

    Type:
    Small molecule

    AlogP:
    5.03

    Polar Surface Area:
    83.56

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  13. ALA4206173

    Name:
    4-(3',5'-Dimethyl-4'-hydroxy-3-biphenyl)-5-phenyli
    Show More

    Mol. Formula:
    C24H19NO4

    M.W.:
    385.42

    Type:
    Small molecule

    AlogP:
    5.70

    Polar Surface Area:
    83.56

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  14. ALA3833319

    Name:
    REVEFENACIN

    Cas Number:
    864750-70-9

    Mol. Formula:
    C35H43N5O4

    M.W.:
    597.76

    Type:
    Small molecule

    AlogP:
    4.84

    Polar Surface Area:
    108.21

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  15. Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    45.59

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  16. ALA3707134

    Name:
    (4R,5S,6E)-5-[2-Amino-2-(carboxymethyl-carbamoyl)-
    Show More

    Mol. Formula:
    C24H44N2O6S

    M.W.:
    488.69

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    149.95

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  17. ALA3707133

    Name:
    (2-Amino-3-{1-[1-hydroxy-4-oxo-4-(5-oxo-tetrahydro
    Show More

    Mol. Formula:
    C28H48N2O7S

    M.W.:
    556.77

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    156.02

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  18. ALA3706609

    Name:
    6-[2-Amino-2-(carboxymethyl-carbamoyl)-ethylsulfan
    Show More

    Mol. Formula:
    C27H42N2O6S

    M.W.:
    522.71

    Type:
    Small molecule

    AlogP:
    3.54

    Polar Surface Area:
    149.95

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  19. ALA3706608

    Name:
    6-[2-Amino-2-(carboxymethyl-carbamoyl)-ethylsulfan
    Show More

    Mol. Formula:
    C26H40N2O7S

    M.W.:
    524.68

    Type:
    Small molecule

    AlogP:
    2.99

    Polar Surface Area:
    159.18

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  20. ALA3706607

    Name:
    6-[2-Amino-2-(carboxymethyl-carbamoyl)-ethylsulfan
    Show More

    Mol. Formula:
    C27H40N2O6S

    M.W.:
    520.69

    Type:
    Small molecule

    AlogP:
    3.62

    Polar Surface Area:
    149.95

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
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