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  1. ALA4076719

    Name:
    NA

    Mol. Formula:
    C100H131N20O68P9

    M.W.:
    2979.99

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA3763577

    Name:
    Gamma-glutamyl-cysteamine

    Mol. Formula:
    C7H14N2O3S

    M.W.:
    206.27

    Type:
    Small molecule

    AlogP:
    -0.78

    Polar Surface Area:
    92.42

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  3. ALA3608398

    Name:
    ((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tShow More

    Mol. Formula:
    C20H27N4O12P

    M.W.:
    546.43

    Type:
    Small molecule

    AlogP:
    -1.87

    Polar Surface Area:
    224.40

    HBA:
    13

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  4. ALA3608397

    Name:
    ethyl ((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2HShow More

    Mol. Formula:
    C22H31N4O12P

    M.W.:
    574.48

    Type:
    Small molecule

    AlogP:
    -0.82

    Polar Surface Area:
    213.40

    HBA:
    14

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  5. ALA2181263

    Name:
    (4S,11S,18S)-4-((1H-indol-3-yl)methyl)-15,18-bis(4-aminobutyl)-11-(cyclohexShow More

    Mol. Formula:
    C59H90N12O6

    M.W.:
    1063.45

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA2181262

    Name:
    (4S,11S,18S)-4,11-bis((1H-indol-3-yl)methyl)-15,18-bis(4-aminobutyl)-1,8-diShow More

    Mol. Formula:
    C54H85N13O6

    M.W.:
    1012.36

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA2106438

    Name:
    PIBROZELESIN HYDROBROMIDE

    Mol. Formula:
    C32H37Br2N5O8

    M.W.:
    779.48

    Type:
    Small molecule

    AlogP:
    4.66

    Polar Surface Area:
    138.66

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  8. ALA2035726

    Name:
    2-((2S,8S,11S,14R)-14-benzyl-11-(4-(1-(2-[18F]fluoroethyl)-1H-1,2,3-triazolShow More

    Mol. Formula:
    C32H45FN12O8

    M.W.:
    743.79

    Type:
    Small molecule

    AlogP:
    -2.80

    Polar Surface Area:
    304.51

    HBA:
    11

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  9. ALA456199

    Name:
    2,4:3,5-dibenzylidene-D-xylosediethyl dithioacetal

    Mol. Formula:
    C23H28O4S2

    M.W.:
    432.61

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    36.92

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  10. ALA492694

    Name:
    phenacetyl KKR-acid

    Mol. Formula:
    C26H44N8O5

    M.W.:
    548.69

    Type:
    Small molecule

    AlogP:
    -0.71

    Polar Surface Area:
    238.54

    HBA:
    7

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
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