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  1. ALA5204063

    Name:
    1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethaShow More

    Mol. Formula:
    C21H20N4O4

    M.W.:
    392.42

    Type:
    ---

    AlogP:
    1.74

    Polar Surface Area:
    95.60

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  2. ALA5206172

    Name:
    N1-(5-chloropyridin-2-yl)-N2-(1-(2-(5-guanidinopentanamido)ethyl)piperidin-Show More

    Mol. Formula:
    C26H34ClF9N8O9

    M.W.:
    809.04

    Type:
    ---

    AlogP:
    0.02

    Polar Surface Area:
    165.33

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  3. ALA5184106

    Name:
    N-(2-(4-(2-((5-chloropyridin-2-yl)amino)acetamido)piperidin-1-yl)ethyl)-5-gShow More

    Mol. Formula:
    C26H36ClF9N8O8

    M.W.:
    795.06

    Type:
    ---

    AlogP:
    0.50

    Polar Surface Area:
    148.26

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  4. ALA5182018

    Name:
    N1-((2S)-1-((2-(4-(2-((6-fluoropyridin-3-yl)amino)-2-oxoacetamido)-1-azaspiShow More

    Mol. Formula:
    C60H98F10N10O23

    M.W.:
    1517.47

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA5177492

    Name:
    N1-(6-fluoropyridin-3-yl)-N2-(1-(2-(5-guanidinopentanamido)ethyl)-1-azaspirShow More

    Mol. Formula:
    C31H42F10N8O9

    M.W.:
    860.70

    Type:
    ---

    AlogP:
    1.21

    Polar Surface Area:
    165.33

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  6. ALA5173339

    Name:
    N1-(5-chloropyridin-3-yl)-N2-(1-(2-(5-guanidinopentanamido)ethyl)-1-azaspirShow More

    Mol. Formula:
    C31H42ClF9N8O9

    M.W.:
    877.16

    Type:
    ---

    AlogP:
    1.73

    Polar Surface Area:
    165.33

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  7. ALA5170801

    Name:
    N1-(5-fluoropyridin-3-yl)-N2-(1-(2-(5-guanidinopentanamido)ethyl)-1-azaspirShow More

    Mol. Formula:
    C31H42F10N8O9

    M.W.:
    860.70

    Type:
    ---

    AlogP:
    1.21

    Polar Surface Area:
    165.33

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  8. ALA4879121

    Name:
    N1-((1R,2R,3S)-3-(but-3-enyl)-2-(guanidinomethyl)-5-((methylamino)methyl)-2Show More

    Mol. Formula:
    C29H32ClF7N6O6

    M.W.:
    729.05

    Type:
    Unknown

    AlogP:
    3.16

    Polar Surface Area:
    132.13

    HBA:
    4

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  9. ALA4878723

    Name:
    N1-(4-Chlorophenyl)-N2-(1-(2-(2-guanidino-6-(11-guanidinoundecanamido)hexanShow More

    Mol. Formula:
    C39H66ClN11O4

    M.W.:
    788.48

    Type:
    Unknown

    AlogP:
    3.81

    Polar Surface Area:
    243.44

    HBA:
    7

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  10. ALA4878191

    Name:
    1-((2-(4-(2-((4-Chlorophenyl)amino)-2-oxoacetamido)-1-azaspiro[5.5]undecan-Show More

    Mol. Formula:
    C46H77ClN8O6

    M.W.:
    873.62

    Type:
    Unknown

    AlogP:
    7.23

    Polar Surface Area:
    207.84

    HBA:
    8

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    29

    Passes Ro3:
    N

    QED Weighted:
    0.01

    DETAILS
  11. ALA4877164

    Name:
    N1-(4-chloro-3-fluorophenyl)-N2-((1R,2R,3S)-3-((S)-3,4-dihydroxybutyl)-2-(gShow More

    Mol. Formula:
    C29H34ClF7N6O8

    M.W.:
    763.06

    Type:
    Unknown

    AlogP:
    1.32

    Polar Surface Area:
    172.59

    HBA:
    6

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  12. ALA4876176

    Name:
    N1-((2S)-1-((2-(4-(2-((4-Chlorophenyl)amino)-2-oxoacetamido)-1-azaspiro[5.5Show More

    Mol. Formula:
    C41H68ClN9O10

    M.W.:
    882.50

    Type:
    Unknown

    AlogP:
    1.04

    Polar Surface Area:
    256.79

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    29

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  13. ALA4875361

    Name:
    N1-(4-Chlorophenyl)-N2-(1-(2-(2-guanidino-6-(8-guanidinooctanamido)hexanamiShow More

    Mol. Formula:
    C36H60ClN11O4

    M.W.:
    746.40

    Type:
    Unknown

    AlogP:
    2.64

    Polar Surface Area:
    243.44

    HBA:
    7

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  14. ALA4875133

    Name:
    N1-(4-chloro-3-fluorophenyl)-N2-((1R,2R,3S)-2-(guanidinomethyl)-3-(3-hydroxShow More

    Mol. Formula:
    C28H32ClF7N6O7

    M.W.:
    733.04

    Type:
    Unknown

    AlogP:
    1.96

    Polar Surface Area:
    152.36

    HBA:
    5

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  15. ALA4873341

    Name:
    N1-((2S)-1-((2-(4-(2-((4-Chlorophenyl)amino)-2-oxoacetamido)-1-azaspiro[5.5Show More

    Mol. Formula:
    C55H96ClN9O17

    M.W.:
    1190.87

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA4873137

    Name:
    N1-(4-Chlorophenyl)-N2-(1-(2-(11-guanidinoundecanamido)ethyl)-1-azaspiro[5.Show More

    Mol. Formula:
    C32H52ClN7O3

    M.W.:
    618.27

    Type:
    Unknown

    AlogP:
    4.67

    Polar Surface Area:
    152.44

    HBA:
    5

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  17. ALA4872281

    Name:
    1-((2-(4-(2-((4-Chlorophenyl)amino)-2-oxoacetamido)-1-azaspiro[5.5]undecan-Show More

    Mol. Formula:
    C51H78ClN7O10S

    M.W.:
    1016.74

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA4871020

    Name:
    1-((2-(4-(2-((4-Chlorophenyl)amino)-2-oxoacetamido)-1-azaspiro[5.5]undecan-Show More

    Mol. Formula:
    C46H68ClN7O15S

    M.W.:
    1026.60

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA4869179

    Name:
    N1-(4-chloro-3-fluorophenyl)-N2-((1R,2R,3S)-3-((R)-3,4-dihydroxybutyl)-2-(gShow More

    Mol. Formula:
    C29H34ClF7N6O8

    M.W.:
    763.06

    Type:
    Unknown

    AlogP:
    1.32

    Polar Surface Area:
    172.59

    HBA:
    6

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  20. ALA4868439

    Name:
    N1-(4-chloro-3-fluorophenyl)-N2-((1R,2R,3S)-3-((S)-3,4-dihydroxybutyl)-2-(gShow More

    Mol. Formula:
    C29H34ClF7N6O8

    M.W.:
    763.06

    Type:
    Unknown

    AlogP:
    1.32

    Polar Surface Area:
    172.59

    HBA:
    6

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
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