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  1. ALA5206961

    Name:
    5-((1-butyl-5-nitro-1H-indol-3-yl)methyl)-2-methoxy-N-(4-nitrophenylsulfonyShow More

    Mol. Formula:
    C27H26N4O8S

    M.W.:
    566.59

    Type:
    ---

    AlogP:
    4.98

    Polar Surface Area:
    163.68

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  2. ALA5205318

    Name:
    2-methoxy-5-((5-nitro-1-propyl-1H-indol-3-yl)methyl)-N-(4-nitrophenylsulfonShow More

    Mol. Formula:
    C26H24N4O8S

    M.W.:
    552.57

    Type:
    ---

    AlogP:
    4.59

    Polar Surface Area:
    163.68

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  3. ALA5203389

    Name:
    N-(2,6-difluorophenylsulfonyl)-2-methoxy-5-((1-methyl-5-nitro-1H-indol-3-ylShow More

    Mol. Formula:
    C24H19F2N3O6S

    M.W.:
    515.49

    Type:
    ---

    AlogP:
    4.08

    Polar Surface Area:
    120.54

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  4. ALA5202738

    Name:
    N-(2-bromophenylsulfonyl)-2-methoxy-5-((1-methyl-5-nitro-1H-indol-3-yl)methShow More

    Mol. Formula:
    C24H20BrN3O6S

    M.W.:
    558.41

    Type:
    ---

    AlogP:
    4.57

    Polar Surface Area:
    120.54

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  5. ALA5194419

    Name:
    5-((1-ethyl-5-nitro-1H-indol-3-yl)methyl)-2-methoxy-N-(4-nitrophenylsulfonyShow More

    Mol. Formula:
    C25H22N4O8S

    M.W.:
    538.54

    Type:
    ---

    AlogP:
    4.20

    Polar Surface Area:
    163.68

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  6. ALA5185645

    Name:
    5-((1-isobutyl-5-nitro-1H-indol-3-yl)methyl)-2-methoxy-N-(4-nitrophenylsulfShow More

    Mol. Formula:
    C27H26N4O8S

    M.W.:
    566.59

    Type:
    ---

    AlogP:
    4.83

    Polar Surface Area:
    163.68

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  7. ALA5181806

    Name:

    Mol. Formula:
    C20H14N2O7

    M.W.:
    394.34

    Type:
    ---

    AlogP:
    2.72

    Polar Surface Area:
    109.16

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  8. ALA5176274

    Name:
    N-(2-chlorophenylsulfonyl)-2-methoxy-5-((1-methyl-5-nitro-1H-indol-3-yl)metShow More

    Mol. Formula:
    C24H20ClN3O6S

    M.W.:
    513.96

    Type:
    ---

    AlogP:
    4.46

    Polar Surface Area:
    120.54

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  9. ALA5170709

    Name:

    Mol. Formula:
    C20H16N2O8

    M.W.:
    412.35

    Type:
    ---

    AlogP:
    2.71

    Polar Surface Area:
    118.39

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  10. ALA4798379

    Name:
    N-(2-fluorophenyl)sulfonyl-5-(1H-indol-3-ylmethyl)-2-methoxy-benzamide

    Mol. Formula:
    C23H19FN2O4S

    M.W.:
    438.48

    Type:
    Unknown

    AlogP:
    4.03

    Polar Surface Area:
    88.26

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  11. ALA4794351

    Name:
    Kolaflavanone

    Mol. Formula:
    C31H24O12

    M.W.:
    588.52

    Type:
    Unknown

    AlogP:
    3.71

    Polar Surface Area:
    203.44

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  12. ALA4792638

    Name:
    gamma,delta-Bi-O-garcinoic acid

    Mol. Formula:
    C55H76O8

    M.W.:
    865.20

    Type:
    Unknown

    AlogP:
    14.81

    Polar Surface Area:
    122.52

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  13. ALA4788215

    Name:
    2-methoxy-5-[(1-methyl-5-nitro-indol-3-yl)methyl]-N-(3-nitrophenyl)sulfonylShow More

    Mol. Formula:
    C24H20N4O8S

    M.W.:
    524.51

    Type:
    Unknown

    AlogP:
    3.71

    Polar Surface Area:
    163.68

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  14. ALA4786473

    Name:
    delta,delta-Bigarcinoic acid

    Mol. Formula:
    C54H74O8

    M.W.:
    851.18

    Type:
    Unknown

    AlogP:
    14.08

    Polar Surface Area:
    133.52

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  15. ALA4786140

    Name:
    (8E)-4-Geranyl-3,5-dihydroxybenzophenone

    Mol. Formula:
    C23H26O3

    M.W.:
    350.46

    Type:
    Unknown

    AlogP:
    5.56

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  16. ALA4784715

    Name:
    (2S,2'S,3R)-5,5',7,7'-tetrahydroxy-2'-(3-hydroxy-4-methoxyphenyl)-2-(4-hydrShow More

    Mol. Formula:
    C31H24O11

    M.W.:
    572.52

    Type:
    Unknown

    AlogP:
    4.74

    Polar Surface Area:
    183.21

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  17. ALA4784567

    Name:
    delta,delta-Bi-O-garcinoic acid

    Mol. Formula:
    C54H74O8

    M.W.:
    851.18

    Type:
    Unknown

    AlogP:
    14.50

    Polar Surface Area:
    122.52

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  18. ALA4779644

    Name:
    N-(4-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methylindol-3-yl)methyl]benzamidShow More

    Mol. Formula:
    C24H21FN2O4S

    M.W.:
    452.51

    Type:
    Unknown

    AlogP:
    4.04

    Polar Surface Area:
    77.40

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  19. ALA4761983

    Name:
    2-methoxy-5-[(1-methyl-5-nitro-indol-3-yl)methyl]-N-(2-naphthylsulfonyl)benShow More

    Mol. Formula:
    C28H23N3O6S

    M.W.:
    529.57

    Type:
    Unknown

    AlogP:
    4.96

    Polar Surface Area:
    120.54

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  20. ALA4761141

    Name:
    N-(4-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitro-indol-3-yl)methylShow More

    Mol. Formula:
    C24H20FN3O6S

    M.W.:
    497.50

    Type:
    Unknown

    AlogP:
    3.94

    Polar Surface Area:
    120.54

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
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