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  1. ALA5285742

    Name:
    Bromovulone III

    Mol. Formula:
    C21H29BrO4

    M.W.:
    425.36

    Type:
    ---

    AlogP:
    4.93

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  2. ALA5281863

    Name:

    Mol. Formula:
    C28H32FN5O6

    M.W.:
    553.59

    Type:
    ---

    AlogP:
    2.64

    Polar Surface Area:
    106.86

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  3. ALA5279556

    Name:

    Mol. Formula:
    C25H26ClFN6O2S

    M.W.:
    529.04

    Type:
    ---

    AlogP:
    4.82

    Polar Surface Area:
    71.47

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  4. ALA4791071

    Name:
    4-(5-(Benzenesulfonamido)-1H-indol-1-yl)-N-methylp
    Show More

    Mol. Formula:
    C21H18N4O3S

    M.W.:
    406.47

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    93.09

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  5. ALA4791016

    Name:
    4-(5-(4-Chloro-3-(trifluoromethyl)benzamido)-1H-in
    Show More

    Mol. Formula:
    C23H16ClF3N4O2

    M.W.:
    472.85

    Type:
    Unknown

    AlogP:
    5.31

    Polar Surface Area:
    76.02

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  6. ALA4789550

    Name:
    N-(2-((3-(3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]p
    Show More

    Mol. Formula:
    C25H28N4O4

    M.W.:
    448.52

    Type:
    Unknown

    AlogP:
    3.84

    Polar Surface Area:
    105.34

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  7. ALA4756600

    Name:
    N-(2-((3-(3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]p
    Show More

    Mol. Formula:
    C24H22N4O5S

    M.W.:
    478.53

    Type:
    Unknown

    AlogP:
    4.44

    Polar Surface Area:
    122.41

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  8. ALA4756513

    Name:
    20-O-((4-methoxybenzoyl)carbamothioyl)-L-phenylala
    Show More

    Mol. Formula:
    C38H32N4O7S

    M.W.:
    688.76

    Type:
    Unknown

    AlogP:
    4.55

    Polar Surface Area:
    137.85

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  9. ALA4756330

    Name:
    20-O-((furan-2-carbonyl)carbamothioyl)glycinate-ca
    Show More

    Mol. Formula:
    C28H22N4O7S

    M.W.:
    558.57

    Type:
    Unknown

    AlogP:
    2.53

    Polar Surface Area:
    141.76

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  10. ALA4755881

    Name:
    20-O-((3-fluorobenzoyl)carbamothioyl)-L-leucinate-
    Show More

    Mol. Formula:
    C34H31FN4O6S

    M.W.:
    642.71

    Type:
    Unknown

    AlogP:
    4.49

    Polar Surface Area:
    128.62

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  11. ALA4777686

    Name:
    20-O-((cyclopentanecarbonyl)carbamothioyl)glycinat
    Show More

    Mol. Formula:
    C29H28N4O6S

    M.W.:
    560.63

    Type:
    Unknown

    AlogP:
    2.81

    Polar Surface Area:
    128.62

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  12. ALA4776487

    Name:
    4-(5-(3,5-Bis(trifluoromethyl)benzamido)-1H-indol-
    Show More

    Mol. Formula:
    C24H16F6N4O2

    M.W.:
    506.41

    Type:
    Unknown

    AlogP:
    5.68

    Polar Surface Area:
    76.02

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  13. ALA4764868

    Name:
    20-O-((4-fluorobenzoyl)carbamothioyl)glycinate-cam
    Show More

    Mol. Formula:
    C30H23FN4O6S

    M.W.:
    586.60

    Type:
    Unknown

    AlogP:
    3.07

    Polar Surface Area:
    128.62

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  14. ALA4764730

    Name:
    4-(5-(3,4-Dichlorobenzamido)-1H-indol-1-yl)-N-meth
    Show More

    Mol. Formula:
    C22H16Cl2N4O2

    M.W.:
    439.30

    Type:
    Unknown

    AlogP:
    4.94

    Polar Surface Area:
    76.02

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  15. ALA4764726

    Name:
    4-(5-(3,5-Bis(trifluoromethyl)benzenesulfonamido)-
    Show More

    Mol. Formula:
    C23H16F6N4O3S

    M.W.:
    542.46

    Type:
    Unknown

    AlogP:
    5.22

    Polar Surface Area:
    93.09

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  16. ALA4764642

    Name:
    20-O-((3-fluorobenzoyl)carbamothioyl)glycinate-cam
    Show More

    Mol. Formula:
    C30H23FN4O6S

    M.W.:
    586.60

    Type:
    Unknown

    AlogP:
    3.07

    Polar Surface Area:
    128.62

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  17. ALA4764604

    Name:
    20-O-(3-(3-(thiophene-2-carbonyl)thioureido)propan
    Show More

    Mol. Formula:
    C29H24N4O6S2

    M.W.:
    588.67

    Type:
    Unknown

    AlogP:
    3.39

    Polar Surface Area:
    128.62

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  18. ALA4764591

    Name:
    20-O-(4-(3-(2-naphthoyl)thioureido)butanoate)campt
    Show More

    Mol. Formula:
    C36H30N4O6S

    M.W.:
    646.73

    Type:
    Unknown

    AlogP:
    4.87

    Polar Surface Area:
    128.62

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  19. ALA4525290

    Name:
    1-(2-(2-(2-(2-(4-((2S,3R)-4-(3,4-dimethoxyphenyl)-
    Show More

    Mol. Formula:
    C32H45N3O9

    M.W.:
    615.72

    Type:
    Unknown

    AlogP:
    5.00

    Polar Surface Area:
    125.57

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  20. ALA5275086

    Name:
    2-methylquinolin-8-yl 4-(bromomethyl)benzenesulfon
    Show More

    Mol. Formula:
    C17H14BrNO3S

    M.W.:
    392.27

    Type:
    ---

    AlogP:
    4.21

    Polar Surface Area:
    56.26

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
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