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  1. Cyclopropanecarboxylic acid

    Name:
    CYCLOPROPANE CARBOXYLIC ACID

    Mol. Formula:
    C4H6O2

    M.W.:
    86.09

    Type:
    Unknown

    AlogP:
    0.48

    Polar Surface Area:
    37.30

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.50

    DETAILS
  2. ALA3966942

    Name:
    Diet_Restriction

    Mol. Formula:

    M.W.:

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA3965969

    Name:
    INTERLEUKIN 1 BETA, RAT

    Mol. Formula:

    M.W.:

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA3920159

    Name:
    INTERLEUKIN 6, RAT

    Mol. Formula:

    M.W.:

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA3897557

    Name:
    TNF-ALPHA, RAT

    Mol. Formula:

    M.W.:

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA3084803

    Name:
    Astromicin

    Mol. Formula:
    C17H35N5O6

    M.W.:
    405.50

    Type:
    Small molecule

    AlogP:
    -3.59

    Polar Surface Area:
    192.54

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  7. 2,4-Diaminophenol

    Name:
    2,4-DIAMINOPHENOL

    Mol. Formula:
    C6H8N2O

    M.W.:
    124.14

    Type:
    Small molecule

    AlogP:
    0.56

    Polar Surface Area:
    72.27

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  8. ALA2252949

    Name:
    L-Camphor

    Mol. Formula:
    C10H16O

    M.W.:
    152.24

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.52

    DETAILS
  9. ALA2108139

    Name:
    Polyvinylpyrrolidone

    Mol. Formula:

    M.W.:

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. Valethamate Bromide

    Name:
    Valethamate Bromide

    Mol. Formula:
    C19H32BrNO2

    M.W.:
    386.37

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  11. Leucomycin A1

    Name:
    Kitasamycin

    Mol. Formula:
    C40H67NO14

    M.W.:
    785.97

    Type:
    Small molecule

    AlogP:
    2.44

    Polar Surface Area:
    199.98

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  12. Maduramicin Ammonium Salt

    Name:
    Maduramicin

    Mol. Formula:
    C47H83NO17

    M.W.:
    934.17

    Type:
    Small molecule

    AlogP:
    4.32

    Polar Surface Area:
    208.75

    HBA:
    16

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  13. Tibolone (Liviella) (Livial)

    Name:
    Tibolone

    Mol. Formula:
    C21H28O2

    M.W.:
    312.45

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  14. ALA1909083

    Name:
    Zirconium (IV) Chloride

    Mol. Formula:
    Cl4Zr

    M.W.:
    233.04

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA1909080

    Name:
    Strontium Chloride Hexahydrate

    Mol. Formula:
    H12Cl2O6Sr

    M.W.:
    266.62

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA1909079

    Name:
    Stannous Fluoride

    Mol. Formula:
    F2Sn

    M.W.:
    156.71

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA1909078

    Name:
    Sodium Arsenite

    Mol. Formula:
    AsNaO2

    M.W.:
    129.91

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA1909076

    Name:
    S-(N-Benzylthiocarbamoyl)-L-Cysteine

    Mol. Formula:
    C11H14N2O2S2

    M.W.:
    270.38

    Type:
    Small molecule

    AlogP:
    1.21

    Polar Surface Area:
    75.35

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  19. ALA1909075

    Name:
    Quinolone, Chemi-Linz / Cyanamid

    Mol. Formula:

    M.W.:

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. Pipethanate ethylbromide

    Name:
    Piperilate Ethobromide

    Mol. Formula:
    C23H30BrNO3

    M.W.:
    448.40

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
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