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  1. ALA5192244

    Name:
    1',1'''-(propane-1,3-diyl)bis(4-methylene-3,4-dihydro-5H-spiro[furan-2,3'-iShow More

    Mol. Formula:
    C27H22N2O6

    M.W.:
    470.48

    Type:
    ---

    AlogP:
    2.87

    Polar Surface Area:
    93.22

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  2. ALA4469909

    Name:
    (1R,2R,4aS,5R)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylene-5-(2-(4-nitropheShow More

    Mol. Formula:
    C22H31NO5

    M.W.:
    389.49

    Type:
    Unknown

    AlogP:
    4.11

    Polar Surface Area:
    92.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  3. ALA4440378

    Name:
    2',4,4'-trihydroxy-6'-methoxy-3'(3''-hydroxybenzyl)dihydrochalcone

    Mol. Formula:
    C23H20O6

    M.W.:
    392.41

    Type:
    Unknown

    AlogP:
    4.00

    Polar Surface Area:
    107.22

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. ALA4217519

    Name:
    Frutescone O

    Mol. Formula:
    C24H36O3

    M.W.:
    372.55

    Type:
    Small molecule

    AlogP:
    5.66

    Polar Surface Area:
    35.53

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  5. ALA4214012

    Name:
    Violacin A

    Mol. Formula:
    C13H14O5

    M.W.:
    250.25

    Type:
    Small molecule

    AlogP:
    1.33

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  6. ALA3357931

    Name:
    Curcumolide

    Mol. Formula:
    C15H22O3

    M.W.:
    250.34

    Type:
    Small molecule

    AlogP:
    2.44

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.57

    DETAILS
  7. ALA3329992

    Name:
    3-(4-(N-(2-(1-ethyl-2-methyl-1H-indol-3-yl)ethyl)sulfamoyl)phenyl)-N-hydroxShow More

    Mol. Formula:
    C22H25N3O4S

    M.W.:
    427.53

    Type:
    Small molecule

    AlogP:
    3.01

    Polar Surface Area:
    100.43

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  8. ALA3329991

    Name:
    N-hydroxy-3-{4-[2-(2-methyl-1H-indol-3-yl)-ethylsulfamoyl]-phenyl}-acrylamiShow More

    Mol. Formula:
    C20H21N3O4S

    M.W.:
    399.47

    Type:
    Small molecule

    AlogP:
    2.52

    Polar Surface Area:
    111.29

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  9. ALA3329990

    Name:
    3-{4-[2-(1,2-Dimethyl-1H-indol-3-yl)-ethyl-N-tertbutoxycarbonylsulfamoyl]-pShow More

    Mol. Formula:
    C21H23N3O4S

    M.W.:
    413.50

    Type:
    Small molecule

    AlogP:
    2.53

    Polar Surface Area:
    100.43

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  10. ALA3085908

    Name:
    KFFKKLKNSVKKRAKKFFKKPRVIGVSIPF

    Mol. Formula:
    C175H289N47O34

    M.W.:
    3595.53

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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