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  1. ALA4633169

    Name:
    Desmethyl-desacetyl-pyrophen

    Mol. Formula:
    C13H13NO3

    M.W.:
    231.25

    Type:
    Unknown

    AlogP:
    1.59

    Polar Surface Area:
    76.46

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  2. ALA3742166

    Name:
    (2S,3S,4S,5R,6S)-4-amino-2-(decylthiomethyl)-6-((1
    Show More

    Mol. Formula:
    C28H57N5O8S

    M.W.:
    623.86

    Type:
    Small molecule

    AlogP:
    -1.41

    Polar Surface Area:
    247.94

    HBA:
    14

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  3. ALA3740994

    Name:
    (2S,3R,4S,5S,6S)-4-amino-2-((1S,2S,3R,4S,6R)-4,6-d
    Show More

    Cas Number:
    1392113-88-0

    Mol. Formula:
    C26H53N5O8S

    M.W.:
    595.80

    Type:
    Small molecule

    AlogP:
    -2.19

    Polar Surface Area:
    247.94

    HBA:
    14

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  4. ALA346532

    Name:
    1-Bromo-2-methyl-propane

    Cas Number:
    344299-42-9

    Mol. Formula:
    C4H9Br

    M.W.:
    137.02

    Type:
    Small molecule

    AlogP:
    2.04

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.48

    DETAILS
  5. ALA347644

    Name:
    2-Bromo-2-methyl-propane

    Cas Number:
    507-19-7

    Mol. Formula:
    C4H9Br

    M.W.:
    137.02

    Type:
    Small molecule

    AlogP:
    2.18

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.45

    DETAILS
  6. ALA160802

    Name:
    Bromo-trichloromethane

    Cas Number:
    75-62-7

    Mol. Formula:
    CBrCl3

    M.W.:
    198.27

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.52

    DETAILS
  7. ALA346231

    Name:
    Bromo-dichloromethane

    Cas Number:
    75-27-4

    Mol. Formula:
    CHBrCl2

    M.W.:
    163.83

    Type:
    Small molecule

    AlogP:
    2.14

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.48

    DETAILS
  8. ALA158800

    Name:
    1-Bromo-3-methyl-butane

    Cas Number:
    107-82-4

    Mol. Formula:
    C5H11Br

    M.W.:
    151.05

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.53

    DETAILS
  9. ALA160508

    Name:
    1-Chloro-2-methyl-propene

    Cas Number:
    513-37-1

    Mol. Formula:
    C4H7Cl

    M.W.:
    90.55

    Type:
    Small molecule

    AlogP:
    2.15

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.43

    DETAILS
  10. ALA158445

    Name:
    1-Chloro-octane

    Cas Number:
    111-85-3

    Mol. Formula:
    C8H17Cl

    M.W.:
    148.68

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  11. ALA346519

    Name:
    (Z)-1,2-Dichloro-propene

    Cas Number:
    6923-20-2

    Mol. Formula:
    C3H4Cl2

    M.W.:
    110.97

    Type:
    Small molecule

    AlogP:
    2.33

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.45

    DETAILS
  12. ALA156075

    Name:
    2,3-Dichloro-propene

    Cas Number:
    78-88-6

    Mol. Formula:
    C3H4Cl2

    M.W.:
    110.97

    Type:
    Small molecule

    AlogP:
    1.98

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.45

    DETAILS
  13. ALA160255

    Name:
    1-Bromo-2-chloro-ethane

    Cas Number:
    107-04-0

    Mol. Formula:
    C2H4BrCl

    M.W.:
    143.41

    Type:
    Small molecule

    AlogP:
    1.62

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.49

    DETAILS
  14. ALA160949

    Name:
    1-Bromo-butane

    Cas Number:
    1219805-80-7

    Mol. Formula:
    C4H9Br

    M.W.:
    137.02

    Type:
    Small molecule

    AlogP:
    2.18

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.51

    DETAILS
  15. ALA156276

    Name:
    2-Bromo-butane

    Cas Number:
    78-76-2

    Mol. Formula:
    C4H9Br

    M.W.:
    137.02

    Type:
    Small molecule

    AlogP:
    2.18

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.49

    DETAILS
  16. ALA156560

    Name:
    1-Bromo-3-chloro-propane

    Cas Number:
    109-70-6

    Mol. Formula:
    C3H6BrCl

    M.W.:
    157.44

    Type:
    Small molecule

    AlogP:
    2.01

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.54

    DETAILS
  17. ALA345249

    Name:
    Dibromo-chloro-fluoro-methane

    Cas Number:
    353-55-9

    Mol. Formula:
    CBr2ClF

    M.W.:
    226.27

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.56

    DETAILS
  18. ALA345248

    Name:
    Tribromo-methane

    Cas Number:
    75-25-2

    Mol. Formula:
    CHBr3

    M.W.:
    252.73

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.58

    DETAILS
  19. ALA346918

    Name:
    Bromo-chloromethane

    Cas Number:
    74-97-5

    Mol. Formula:
    CH2BrCl

    M.W.:
    129.38

    Type:
    Small molecule

    AlogP:
    1.58

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.44

    DETAILS
  20. ALA157093

    Name:
    Dibromo-chloromethane

    Cas Number:
    124-48-1

    Mol. Formula:
    CHBr2Cl

    M.W.:
    208.28

    Type:
    Small molecule

    AlogP:
    2.30

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.54

    DETAILS
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