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  1. ALA5276737

    Name:
    (2S)-2-[(2S,3R)-2-{[(7R,10S,13S,16S,19S,22S,25S)-2
    Show More

    Mol. Formula:
    C70H100N14O25S3

    M.W.:
    1633.84

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA5185285

    Name:
    (3S)-3-[[(2S,3R)-2-[[(3S,6S,9S,12S,15S,18S,21R)-3-
    Show More

    Mol. Formula:
    C63H95N15O27S3

    M.W.:
    1590.73

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA2160035

    Name:
    3-Chloro-6-fluoro-N-[trans-4-(methylamino)cyclohex
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    Mol. Formula:
    C28H27ClFN3OS

    M.W.:
    508.06

    Type:
    Small molecule

    AlogP:
    6.93

    Polar Surface Area:
    45.23

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  4. ALA2160033

    Name:
    3-Chloro-N-[cis-4-(methylamino)cyclohexyl]-N-(3-py
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    Mol. Formula:
    C28H28ClN3OS

    M.W.:
    490.07

    Type:
    Small molecule

    AlogP:
    6.79

    Polar Surface Area:
    45.23

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  5. ALA2160031

    Name:
    3,4-Dichloro-N-[trans-4-(methylamino)cyclohexyl]-N
    Show More

    Mol. Formula:
    C28H27Cl2N3OS

    M.W.:
    524.52

    Type:
    Small molecule

    AlogP:
    7.44

    Polar Surface Area:
    45.23

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  6. ALA1213326

    Name:
    2-((3S,6S,12S,E)-12-amino-3-methyl-5,13-dioxo-1-ox
    Show More

    Cas Number:
    1132653-86-1

    Mol. Formula:
    C23H33N3O5

    M.W.:
    431.53

    Type:
    Small molecule

    AlogP:
    1.13

    Polar Surface Area:
    121.96

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  7. ALA1080091

    Name:
    (S,E)-N-(4-chlorobenzyl)-2-(5,12-dioxo-1-oxa-4-aza
    Show More

    Mol. Formula:
    C19H23ClN2O4

    M.W.:
    378.86

    Type:
    Small molecule

    AlogP:
    2.36

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  8. ALA1080988

    Name:
    (R,E)-N-(4-chlorobenzyl)-2-(5,12-dioxo-1-oxa-4-aza
    Show More

    Mol. Formula:
    C19H23ClN2O4

    M.W.:
    378.86

    Type:
    Small molecule

    AlogP:
    2.36

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  9. ALA480889

    Name:
    N-((3S,5S)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(p
    Show More

    Cas Number:
    334998-36-6

    Mol. Formula:
    C31H42N4O5

    M.W.:
    550.70

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    83.58

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  10. ALA473392

    Name:
    Robotnikinin

    Cas Number:
    1132653-79-2

    Mol. Formula:
    C25H27ClN2O4

    M.W.:
    454.95

    Type:
    Small molecule

    AlogP:
    4.10

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  11. ALA515092

    Name:
    N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(piperazin
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    Cas Number:
    334998-39-9

    Mol. Formula:
    C29H38N4O5

    M.W.:
    522.65

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    83.58

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  12. ALA473189

    Name:
    N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(piperazin
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    Mol. Formula:
    C29H36N4O5

    M.W.:
    520.63

    Type:
    Small molecule

    AlogP:
    2.24

    Polar Surface Area:
    83.58

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
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