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  1. ALA5281189

    Name:
    Dehydrorosin

    Mol. Formula:
    C19H16O8

    M.W.:
    372.33

    Type:
    ---

    AlogP:
    1.96

    Polar Surface Area:
    105.20

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  2. ALA5273798

    Name:
    4'-hydroxy-6'-methoxy-2-methyl-3',4-dioxo-3'H-spiro[cyclohexa[2,5]diene-1,1Show More

    Mol. Formula:
    C17H14O7

    M.W.:
    330.29

    Type:
    ---

    AlogP:
    1.74

    Polar Surface Area:
    99.13

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  3. ALA4592496

    Name:
    ((2S,3R,4S,5R)-4-chloro-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,4-difShow More

    Mol. Formula:
    C9H12ClF2N2O14P3

    M.W.:
    538.57

    Type:
    Unknown

    AlogP:
    -0.66

    Polar Surface Area:
    244.14

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  4. ALA4555315

    Name:
    ((2S,3R,4R,5R)-4-chloro-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-fluorShow More

    Mol. Formula:
    C10H15ClFN2O14P3

    M.W.:
    534.60

    Type:
    Unknown

    AlogP:
    -0.57

    Polar Surface Area:
    244.14

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  5. ALA4440367

    Name:
    ((2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,4-difluoro-3-hShow More

    Mol. Formula:
    C10H15F2N2O14P3

    M.W.:
    518.15

    Type:
    Unknown

    AlogP:
    -0.84

    Polar Surface Area:
    244.14

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  6. ALA3144215

    Name:
    N2-(p-n-Butylphenyl)-2'-deoxyguanosine 5'-Triphosphate (BuPdGTP)

    Mol. Formula:
    C20H28N5O13P3

    M.W.:
    639.39

    Type:
    Small molecule

    AlogP:
    1.27

    Polar Surface Area:
    258.70

    HBA:
    13

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  7. ALA3138442

    Name:
    2-[(3S,5S,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13-dimethyl-hexadecahShow More

    Mol. Formula:
    C29H52O2

    M.W.:
    432.73

    Type:
    Small molecule

    AlogP:
    7.49

    Polar Surface Area:
    29.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  8. ALA3138325

    Name:
    (S)-4-((5R,10R,13R,17R)-3-Hydroxy-5,10,13-trimethyl-hexadecahydro-cyclopentShow More

    Mol. Formula:
    C25H42O3

    M.W.:
    390.61

    Type:
    Small molecule

    AlogP:
    5.90

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  9. ALA3138039

    Name:
    1-[(3S,5S,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13-dimethyl-hexadecahShow More

    Mol. Formula:
    C29H52O3

    M.W.:
    448.73

    Type:
    Small molecule

    AlogP:
    6.80

    Polar Surface Area:
    49.69

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  10. ALA2115349

    Name:
    2-(4-Butyl-phenylamino)-9-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)Show More

    Mol. Formula:
    C20H25N5O4

    M.W.:
    399.45

    Type:
    Small molecule

    AlogP:
    1.85

    Polar Surface Area:
    125.29

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  11. ALA1652469

    Name:
    [({[({2-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]ethoxy}methyl)(hydroxy)Show More

    Mol. Formula:
    C11H19N6O10P3

    M.W.:
    488.23

    Type:
    Small molecule

    AlogP:
    0.37

    Polar Surface Area:
    241.47

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  12. ALA1652468

    Name:
    {[({2-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]ethoxy}methyl)(hydroxy)phShow More

    Mol. Formula:
    C11H18N6O7P2

    M.W.:
    408.25

    Type:
    Small molecule

    AlogP:
    0.25

    Polar Surface Area:
    194.94

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  13. ALA1652467

    Name:
    ({[({[2-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)ethoxy]methyl}(hydroxy)phoShow More

    Mol. Formula:
    C8H14N5O11P3

    M.W.:
    449.15

    Type:
    Small molecule

    AlogP:
    -0.91

    Polar Surface Area:
    249.41

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  14. ALA1652466

    Name:
    [({[2-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)ethoxy]methyl}(hydroxy)phospShow More

    Mol. Formula:
    C8H13N5O8P2

    M.W.:
    369.17

    Type:
    Small molecule

    AlogP:
    -1.03

    Polar Surface Area:
    202.88

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  15. 5α-cholestan-3β-ol

    Name:
    (3S,5S,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13-dimethyl-hexadecahydrShow More

    Mol. Formula:
    C27H48O

    M.W.:
    388.68

    Type:
    Small molecule

    AlogP:
    7.47

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  16. ALA425779

    Name:
    (E)-methyl-3,6-dioxo-4-docosenoate

    Mol. Formula:
    C23H40O4

    M.W.:
    380.57

    Type:
    Small molecule

    AlogP:
    6.12

    Polar Surface Area:
    60.44

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  17. ALA437310

    Name:
    (2R,3S,4R)-methyl 1-(2-(1H-indol-3-yl)ethyl)-4-hydroxy-5-(2-oxotetradecylidShow More

    Mol. Formula:
    C36H48N2O4

    M.W.:
    572.79

    Type:
    Small molecule

    AlogP:
    7.68

    Polar Surface Area:
    82.63

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  18. ALA207651

    Name:
    (3aR,4R,7S,7aS)-dimethyl 3,5-dihexadecyl-1-oxo-7-(phenethylcarbamoyl)-3a,4,Show More

    Mol. Formula:
    C54H87NO6

    M.W.:
    846.29

    Type:
    Small molecule

    AlogP:
    13.72

    Polar Surface Area:
    98.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    36

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  19. ALA208804

    Name:
    (2S,3S,4S)-methyl 1-benzyl-2-ethyl-4-hydroxy-5-(2-oxotetradecylidene)pyrrolShow More

    Mol. Formula:
    C29H45NO4

    M.W.:
    471.68

    Type:
    Small molecule

    AlogP:
    6.19

    Polar Surface Area:
    66.84

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  20. ALA379409

    Name:
    (2S,3S,4R)-methyl 1-benzyl-2-ethyl-4-hydroxy-5-(2-oxotetradecylidene)pyrrolShow More

    Mol. Formula:
    C29H45NO4

    M.W.:
    471.68

    Type:
    Small molecule

    AlogP:
    6.19

    Polar Surface Area:
    66.84

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
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