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Compounds

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  1. ALA5281097

    Name:

    Mol. Formula:
    C70H87ClFN7O21

    M.W.:
    1416.94

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA5277101

    Name:
    2-((4-((4-((3-chlorophenyl)amino)quinazolin-6-yl)carbamoyl)benzyl)(methyl)aShow More⌵

    Mol. Formula:
    C47H41Cl2N11O4

    M.W.:
    894.82

    Type:
    ---

    AlogP:
    9.43

    Polar Surface Area:
    182.04

    HBA:
    13

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  3. ALA5267146

    Name:
    [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl N,N-diethylcaShow More⌵

    Mol. Formula:
    C18H28BNO2S2

    M.W.:
    365.37

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA5190428

    Name:
    2,6-Dichloro-3-(2-methyl-1H-indol-3-yl)-5-morpholinocyclohexa-2,5-diene-1,4Show More⌵

    Mol. Formula:
    C19H16Cl2N2O3

    M.W.:
    391.25

    90  activity values

    6   unique targets

    Type:
    ---

    AlogP:
    3.36

    Polar Surface Area:
    62.40

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  5. ALA5177925

    Name:
    2-((1E,3E,5E,7E)-7-(3-((S)-1-((4R,10S,13S,16S,19S,22S,28R)-22-(2-amino-2-oxShow More⌵

    Mol. Formula:
    C146H221N35O42S5

    M.W.:
    3298.91

    34  activity values

    6   unique targets

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA5091808

    Name:
    (2S,5S,8S,11S,20S)-20-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amShow More⌵

    Mol. Formula:
    C56H103N13O11

    M.W.:
    1134.52

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA5089794

    Name:
    (2S,5S,8S,11S)-20-amino-8-(4-aminobutyl)-N-[(1S,2S)-1-[[(1S)-5-amino-1-[[(1Show More⌵

    Mol. Formula:
    C60H111N13O11

    M.W.:
    1190.63

    3  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA5089200

    Name:
    (2S,5S,8S,11S,20S)-20-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amiShow More⌵

    Mol. Formula:
    C56H103N15O11

    M.W.:
    1162.53

    25  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA5087132

    Name:
    (2S,5S,8S,11R,20R)-N-((2S,3R)-1-(((S)-1-(((S)-1-amino-4-methyl-1-oxopentan-Show More⌵

    Mol. Formula:
    C62H116N16O11

    M.W.:
    1261.71

    17  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA5086873

    Name:
    (2S,5S,8S,11S,20S)-20-[(2-aminoacetyl)amino]-5-(4-aminobutyl)-N-[(1S)-5-amiShow More⌵

    Mol. Formula:
    C56H104N16O11

    M.W.:
    1177.55

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA5081911

    Name:
    (2S,5S,8S,11S,20S)-20-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoShow More⌵

    Mol. Formula:
    C56H104N16O11

    M.W.:
    1177.55

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA5072587

    Name:
    (2S,5S,8S,11S,20S)-20-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methyl-penShow More⌵

    Mol. Formula:
    C58H107N15O10

    M.W.:
    1174.59

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA4879246

    Name:
    5alpha,15beta-Diacetoxy-3beta-benzoyloxy-13alpha-methyl premyrsinol

    Mol. Formula:
    C31H40O7

    M.W.:
    524.65

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    5.01

    Polar Surface Area:
    95.97

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  14. ALA4877321

    Name:
    Ethyl 4-(2-Chloro-N-(2-oxo-2-(phenethylamino)-1-(1H-pyrrolo-[2,3-b]pyridin-Show More⌵

    Mol. Formula:
    C28H27ClN4O4

    M.W.:
    519.00

    6  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    4.41

    Polar Surface Area:
    104.39

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  15. ALA4876863

    Name:
    Ethyl 4-(2-Chloro-N-(2-((2-chlorophenethyl)amino)-1-(1H-indol-3-yl)-2-oxoetShow More⌵

    Mol. Formula:
    C29H27Cl2N3O4

    M.W.:
    552.46

    6  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    5.67

    Polar Surface Area:
    91.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  16. ALA4875408

    Name:
    N-(1-(1H-Indol-3-yl)-2-oxo-2-(phenethylamino)ethyl)-2-chloro-N-(4-(3-methylShow More⌵

    Mol. Formula:
    C29H26ClN5O3

    M.W.:
    528.01

    6  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    5.20

    Polar Surface Area:
    104.12

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  17. ALA4875087

    Name:
    5alpha,15beta-Diacetoxy-3beta-benzoyloxy-13beta-methyl premyrsinol

    Mol. Formula:
    C31H40O7

    M.W.:
    524.65

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    5.01

    Polar Surface Area:
    95.97

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  18. ALA4870663

    Name:
    Ethyl 4-(N-(1-(1H-Indol-3-yl)-2-((3-methoxyphenethyl)amino)-2-oxoethyl)-2-cShow More⌵

    Mol. Formula:
    C30H30ClN3O5

    M.W.:
    548.04

    6  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    5.03

    Polar Surface Area:
    100.73

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  19. ALA4870519

    Name:
    Ethyl 4-(N-(2-(Allylamino)-1-(1H-indol-3-yl)-2-oxoethyl)-2-chloroacetamido)Show More⌵

    Mol. Formula:
    C24H24ClN3O4

    M.W.:
    453.93

    6  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    3.96

    Polar Surface Area:
    91.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  20. ALA4869036

    Name:
    2-(Benzo[b]thiophen-3-yl)-2-(2-chloro-N-(4-(3-methyl-1,2,4-oxadiazol-5-yl)pShow More⌵

    Mol. Formula:
    C29H25ClN4O3S

    M.W.:
    545.06

    6  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    5.93

    Polar Surface Area:
    88.33

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
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