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  1. ALA3960997

    Name:
    3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-2,3-dihydro-1H-inden-2Show More

    Mol. Formula:
    C28H37ClO2S

    M.W.:
    473.12

    Type:
    Small molecule

    AlogP:
    8.49

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  2. (Diacetoxyiodo)benzene

    Name:
    SID29217885

    Mol. Formula:
    C10H11IO4

    M.W.:
    322.10

    Type:
    Small molecule

    AlogP:
    2.32

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  3. ALA3214138

    Name:
    SID26661182

    Mol. Formula:
    C18H21N3O3S

    M.W.:
    359.45

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    82.33

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  4. ALA3189047

    Name:
    SID104223915

    Mol. Formula:
    C25H20N6O5

    M.W.:
    484.47

    Type:
    Small molecule

    AlogP:
    2.23

    Polar Surface Area:
    145.56

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  5. ALA3189042

    Name:
    SID124398479

    Mol. Formula:
    C22H22N4O4S

    M.W.:
    438.51

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    79.99

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  6. ALA3185529

    Name:
    SID104223844

    Mol. Formula:
    C23H17ClN4O5

    M.W.:
    464.87

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    120.74

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  7. ALA3184977

    Name:
    SID104224041

    Mol. Formula:
    C28H23N3O5S

    M.W.:
    513.58

    Type:
    Small molecule

    AlogP:
    5.59

    Polar Surface Area:
    110.64

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  8. ALA3182682

    Name:
    SID104223875

    Mol. Formula:
    C24H20N8O3

    M.W.:
    468.48

    Type:
    Small molecule

    AlogP:
    2.50

    Polar Surface Area:
    137.90

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  9. ALA2374263

    Name:
    SID50112633

    Mol. Formula:
    C74H105N19O13

    M.W.:
    1468.77

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA2374102

    Name:
    SID26748490

    Mol. Formula:
    C21H28ClNO4

    M.W.:
    393.91

    Type:
    Small molecule

    AlogP:
    1.71

    Polar Surface Area:
    73.16

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  11. ALA2373762

    Name:
    SID26756965

    Mol. Formula:
    C32H44N2O8

    M.W.:
    584.71

    Type:
    Small molecule

    AlogP:
    2.22

    Polar Surface Area:
    126.79

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  12. ALA1906517

    Name:
    SID50112446

    Mol. Formula:
    C119H198N36O37

    M.W.:
    2725.11

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA1906206

    Name:
    SID26757016

    Mol. Formula:
    C18H27NO6

    M.W.:
    353.42

    Type:
    Small molecule

    AlogP:
    0.24

    Polar Surface Area:
    96.30

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  14. ALA1905558

    Name:
    SID26756927

    Mol. Formula:
    C21H36O4

    M.W.:
    352.52

    Type:
    Small molecule

    AlogP:
    4.16

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  15. ALA1904897

    Name:
    SID26756832

    Mol. Formula:
    C22H34O7

    M.W.:
    410.51

    Type:
    Small molecule

    AlogP:
    1.52

    Polar Surface Area:
    113.29

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  16. ALA1904549

    Name:
    SID50112464

    Mol. Formula:
    C138H229N43O38S

    M.W.:
    3130.68

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. H-Ile-Lys-Val-Ala-Val-OH

    Name:
    SID50112504

    Mol. Formula:
    C25H48N6O6

    M.W.:
    528.70

    Type:
    Protein

    AlogP:
    -0.16

    Polar Surface Area:
    205.74

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  18. ALA1904190

    Name:
    SID24270781

    Mol. Formula:
    C23H26N4O3

    M.W.:
    406.49

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    76.34

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  19. ALA1904140

    Name:
    SID92764212

    Mol. Formula:
    C23H28N4O6

    M.W.:
    456.50

    Type:
    Small molecule

    AlogP:
    2.67

    Polar Surface Area:
    141.84

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  20. ALA1903819

    Name:
    SID50112955

    Mol. Formula:
    C14H13NaO3

    M.W.:
    252.25

    Type:
    Small molecule

    AlogP:
    3.04

    Polar Surface Area:
    46.53

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
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