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  1. ALA3277224

    Name:
    N,N-Dimethylamino-3-(2,5-dimethoxyphenyl)propane

    Mol. Formula:
    C13H21NO2

    M.W.:
    223.32

    Type:
    Small molecule

    AlogP:
    2.20

    Polar Surface Area:
    21.70

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  2. ALA2367824

    Name:
    (+/-)2-(3,5-Dimethoxy-phenyl)-1-methyl-ethylamine

    Mol. Formula:
    C11H17NO2

    M.W.:
    195.26

    Type:
    Small molecule

    AlogP:
    1.59

    Polar Surface Area:
    44.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  3. ALA2104047

    Name:
    (S)2-Amino-1-phenyl-propan-1-one

    Mol. Formula:
    C9H11NO

    M.W.:
    149.19

    Type:
    Small molecule

    AlogP:
    1.22

    Polar Surface Area:
    43.09

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.64

    DETAILS
  4. ALA2079629

    Name:
    (-)2-(4-Methoxy-phenyl)-1-methyl-ethylamine

    Mol. Formula:
    C10H15NO

    M.W.:
    165.24

    Type:
    Small molecule

    AlogP:
    1.58

    Polar Surface Area:
    35.25

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.74

    DETAILS
  5. ALA1788278

    Name:
    (-)2-(2,5-Dimethoxy-4-nitro-phenyl)-1-methyl-ethylamine

    Mol. Formula:
    C11H16N2O4

    M.W.:
    240.26

    Type:
    Small molecule

    AlogP:
    1.50

    Polar Surface Area:
    87.62

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA1744019

    Name:
    6,7-Dichloro-2-piperazin-1-yl-quinoxaline: HCl

    Mol. Formula:
    C12H13Cl3N4

    M.W.:
    319.62

    Type:
    Small molecule

    AlogP:
    2.35

    Polar Surface Area:
    41.05

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  7. ALA1743987

    Name:
    6-Chloro-2-piperazin-1-yl-quinoxaline: HCl

    Mol. Formula:
    C12H14Cl2N4

    M.W.:
    285.18

    Type:
    Small molecule

    AlogP:
    1.69

    Polar Surface Area:
    41.05

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  8. ALA1743984

    Name:
    6-Nitro-2-piperazin-1-yl-quinoxaline: HCl

    Mol. Formula:
    C12H14ClN5O2

    M.W.:
    295.73

    Type:
    Small molecule

    AlogP:
    0.95

    Polar Surface Area:
    84.19

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  9. ALA1743966

    Name:
    3-Phenylsulfanyl-2-piperazin-1-yl-6-trifluoromethyl-quinoxaline: HCl

    Mol. Formula:
    C19H18ClF3N4S

    M.W.:
    426.90

    Type:
    Small molecule

    AlogP:
    4.21

    Polar Surface Area:
    41.05

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  10. ALA1743965

    Name:
    5-Chloro-2-piperazin-1-yl-quinoxaline: HCl

    Mol. Formula:
    C12H14Cl2N4

    M.W.:
    285.18

    Type:
    Small molecule

    AlogP:
    1.69

    Polar Surface Area:
    41.05

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  11. ALA1743929

    Name:
    6-Chloro-3-phenylsulfanyl-2-piperazin-1-yl-quinoxaline: HCl

    Mol. Formula:
    C18H18Cl2N4S

    M.W.:
    393.34

    Type:
    Small molecule

    AlogP:
    3.84

    Polar Surface Area:
    41.05

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  12. ALA1743925

    Name:
    5-Methoxy-2-piperazin-1-yl-quinoxaline: HCl

    Mol. Formula:
    C13H17ClN4O

    M.W.:
    280.76

    Type:
    Small molecule

    AlogP:
    1.05

    Polar Surface Area:
    50.28

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  13. ALA1743614

    Name:
    1-(2-Dimethylamino-ethyl)-3-piperazin-1-yl-1H-quinoxalin-2-one: HCl

    Mol. Formula:
    C16H24ClN5O

    M.W.:
    337.86

    Type:
    Small molecule

    AlogP:
    0.37

    Polar Surface Area:
    53.40

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  14. ALA1204137

    Name:
    (8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine hydrochloride

    Mol. Formula:
    C17H28ClNO

    M.W.:
    297.87

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    12.47

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  15. ALA1204120

    Name:
    7-(Butyl-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-1-ol hydrobromide

    Mol. Formula:
    C17H28BrNO

    M.W.:
    342.32

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  16. ALA1202249

    Name:
    7-Dibutylamino-5,6,7,8-tetrahydro-naphthalen-1-ol hydrobromide

    Mol. Formula:
    C18H30BrNO

    M.W.:
    356.35

    Type:
    Small molecule

    AlogP:
    4.15

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  17. ALA1202248

    Name:
    7-Piperidin-1-yl-5,6,7,8-tetrahydro-naphthalen-1-ol hydrobromide

    Mol. Formula:
    C15H22BrNO

    M.W.:
    312.25

    Type:
    Small molecule

    AlogP:
    2.74

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.80

    DETAILS
  18. ALA1202247

    Name:
    7-(Benzyl-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-1-ol hydrobromide

    Mol. Formula:
    C20H26BrNO

    M.W.:
    376.34

    Type:
    Small molecule

    AlogP:
    4.16

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  19. ALA1202246

    Name:
    7-(Ethyl-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-1-ol hydrobromide

    Mol. Formula:
    C15H24BrNO

    M.W.:
    314.27

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  20. ALA1202244

    Name:
    7-Methylamino-5,6,7,8-tetrahydro-naphthalen-1-ol hydrobromide

    Mol. Formula:
    C11H16BrNO

    M.W.:
    258.16

    Type:
    Small molecule

    AlogP:
    1.47

    Polar Surface Area:
    32.26

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.68

    DETAILS
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