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  1. ALA4090002

    Name:
    4-Methyl-N-[3-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]-phenyl]thieno[Show More

    Mol. Formula:
    C27H29N3O3S

    M.W.:
    475.61

    Type:
    Small molecule

    AlogP:
    5.54

    Polar Surface Area:
    55.73

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  2. ALA4086085

    Name:
    1-(4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl)ethanone

    Mol. Formula:
    C17H24N2O

    M.W.:
    272.39

    Type:
    Small molecule

    AlogP:
    2.46

    Polar Surface Area:
    32.34

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.86

    DETAILS
  3. ALA4083038

    Name:
    4-Methyl-N-[3-[[4-(4-piperidyloxy)phenoxy]methyl]phenyl]-thieno[3,2-b]pyrroShow More

    Mol. Formula:
    C26H27N3O3S

    M.W.:
    461.59

    Type:
    Small molecule

    AlogP:
    5.20

    Polar Surface Area:
    64.52

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  4. ALA4066708

    Name:
    N-(3-(methoxymethyl)phenyl)-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

    Mol. Formula:
    C16H16N2O2S

    M.W.:
    300.38

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    43.26

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  5. ALA3764836

    Name:
    N-((2S)-1-oxo-6-(2-phenylcyclopropylamino)-1-(3-(trifluoromethyl)benzylaminShow More

    Mol. Formula:
    C36H36F3N3O2

    M.W.:
    599.70

    Type:
    Small molecule

    AlogP:
    7.10

    Polar Surface Area:
    70.23

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  6. ALA3764353

    Name:
    N-((2S)-1-(4-chlorobenzylamino)-1-oxo-6-(2-phenylcyclopropylamino)hexan-2-yShow More

    Mol. Formula:
    C35H36ClN3O2

    M.W.:
    566.15

    Type:
    Small molecule

    AlogP:
    6.74

    Polar Surface Area:
    70.23

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  7. ALA3765529

    Name:
    N-((2S)-1-(benzylamino)-1-oxo-6-(2-phenylcyclopropylamino)hexan-2-yl)biphenShow More

    Mol. Formula:
    C35H37N3O2

    M.W.:
    531.70

    Type:
    Small molecule

    AlogP:
    6.08

    Polar Surface Area:
    70.23

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
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