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  1. ALA4592916

    Name:
    6,7-dichloro-9-oxo-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

    Mol. Formula:
    C13H2Cl2N4O

    M.W.:
    301.09

    Type:
    Unknown

    AlogP:
    2.74

    Polar Surface Area:
    90.43

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  2. ALA4573425

    Name:
    6,7-difluoro-9-oxo-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

    Mol. Formula:
    C13H2F2N4O

    M.W.:
    268.18

    Type:
    Unknown

    AlogP:
    1.71

    Polar Surface Area:
    90.43

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  3. ALA4550273

    Name:
    6,7-dimethoxy-9-oxo-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

    Mol. Formula:
    C15H8N4O3

    M.W.:
    292.25

    Type:
    Unknown

    AlogP:
    1.45

    Polar Surface Area:
    108.89

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  4. ALA4515695

    Name:
    5,8-dimethoxy-9-oxo-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

    Mol. Formula:
    C15H8N4O3

    M.W.:
    292.25

    Type:
    Unknown

    AlogP:
    1.45

    Polar Surface Area:
    108.89

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  5. ALA4464481

    Name:
    5,8-difluoro-9-oxo-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

    Mol. Formula:
    C13H2F2N4O

    M.W.:
    268.18

    Type:
    Unknown

    AlogP:
    1.71

    Polar Surface Area:
    90.43

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA4440741

    Name:
    6,7-dimethyl-9-oxo-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

    Mol. Formula:
    C15H8N4O

    M.W.:
    260.26

    Type:
    Unknown

    AlogP:
    2.05

    Polar Surface Area:
    90.43

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  7. ALA4217453

    Name:
    O2-(2,4-Dinitro-5-{4-[2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oyl]piperaziShow More

    Mol. Formula:
    C44H58N8O10

    M.W.:
    858.99

    Type:
    Small molecule

    AlogP:
    6.47

    Polar Surface Area:
    238.89

    HBA:
    13

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  8. ALA4213037

    Name:
    3-(2-((S)-2-aminopropanoyloxy)ethyl)-1-(5-(2-((4aS,6aR,6bS,8aR,12aS,14aR,14Show More

    Mol. Formula:
    C45H60N8O12

    M.W.:
    905.02

    Type:
    Small molecule

    AlogP:
    6.67

    Polar Surface Area:
    285.76

    HBA:
    16

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  9. ALA4212491

    Name:
    O2-(2,4-Dinitro-5-{4-[2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oyl]piperaziShow More

    Mol. Formula:
    C45H58N8O10

    M.W.:
    871.00

    Type:
    Small molecule

    AlogP:
    6.87

    Polar Surface Area:
    227.89

    HBA:
    13

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  10. ALA4208122

    Name:
    3-(2-((S)-2-aminopropanoyloxy)ethyl)-1-(5-(4-((4aS,6aR,6bS,8aR,12aS,14aR,14Show More

    Mol. Formula:
    C47H63N9O11

    M.W.:
    930.07

    Type:
    Small molecule

    AlogP:
    6.36

    Polar Surface Area:
    270.98

    HBA:
    15

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  11. ALA4203553

    Name:
    O2-(2,4-Dinitro-5-{2-[2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oyl]-oxo-ethShow More

    Mol. Formula:
    C42H55N7O11

    M.W.:
    833.94

    Type:
    Small molecule

    AlogP:
    6.77

    Polar Surface Area:
    253.67

    HBA:
    14

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
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