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  1. ALA3350016

    Name:
    14-Benzyl-2-isobutyl-11-methyl-5-(2-methylsulfanyl-ethyl)-11-naphthalen-1-yShow More

    Mol. Formula:
    C39H46N6O6S

    M.W.:
    726.90

    Type:
    Small molecule

    AlogP:
    2.52

    Polar Surface Area:
    165.81

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  2. ALA3350013

    Name:
    11,14-Dibenzyl-2-isobutyl-5-(2-methylsulfanyl-ethyl)-1,4,7,10,13,16-hexaazaShow More

    Mol. Formula:
    C35H44N6O6S

    M.W.:
    676.84

    Type:
    Small molecule

    AlogP:
    1.06

    Polar Surface Area:
    165.81

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  3. ALA3350012

    Name:
    3-[17-Benzyl-14-(1H-indol-3-ylmethyl)-2-isobutyl-5-(2-methylsulfanyl-ethyl)Show More

    Mol. Formula:
    C42H53N9O8S

    M.W.:
    844.01

    Type:
    Small molecule

    AlogP:
    0.30

    Polar Surface Area:
    253.79

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  4. ALA3349998

    Name:
    11,14-Dibenzyl-2-isobutyl-8-methyl-5-(2-methylsulfanyl-ethyl)-1,4,7,10,13,1Show More

    Mol. Formula:
    C36H46N6O6S

    M.W.:
    690.87

    Type:
    Small molecule

    AlogP:
    1.45

    Polar Surface Area:
    165.81

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  5. ALA3349995

    Name:
    3-[14,17-Dibenzyl-2-isobutyl-5-(2-methylsulfanyl-ethyl)-3,6,9,12,15,18,23-hShow More

    Mol. Formula:
    C40H52N8O8S

    M.W.:
    804.97

    Type:
    Small molecule

    AlogP:
    -0.19

    Polar Surface Area:
    238.00

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  6. ALA3349994

    Name:
    3-[17-Benzyl-14-(1H-indol-3-ylmethyl)-2-isobutyl-5-(2-methylsulfanyl-ethyl)Show More

    Mol. Formula:
    C42H53N9O8S

    M.W.:
    844.01

    Type:
    Small molecule

    AlogP:
    0.30

    Polar Surface Area:
    253.79

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  7. ALA3349990

    Name:
    3-[5-Benzyl-8-(1H-indol-3-ylmethyl)-17-isobutyl-14-(2-methylsulfanyl-ethyl)Show More

    Mol. Formula:
    C41H54N8O7S

    M.W.:
    803.00

    Type:
    Protein

    AlogP:
    1.45

    Polar Surface Area:
    224.69

    HBA:
    8

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  8. ALA3349799

    Name:
    3-[11,14-Dibenzyl-2-isobutyl-5-(2-methylsulfanyl-ethyl)-3,6,9,12,15,20-hexaShow More

    Mol. Formula:
    C38H49N7O7S

    M.W.:
    747.92

    Type:
    Small molecule

    AlogP:
    0.70

    Polar Surface Area:
    208.90

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  9. ALA3349798

    Name:
    3-[14-Benzyl-11-(1H-indol-3-ylmethyl)-2-isobutyl-5-(2-methylsulfanyl-ethyl)Show More

    Mol. Formula:
    C40H50N8O7S

    M.W.:
    786.96

    Type:
    Small molecule

    AlogP:
    1.18

    Polar Surface Area:
    224.69

    HBA:
    8

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  10. ALA3349688

    Name:
    3-[14-Benzyl-11-(1H-indol-3-ylmethyl)-2-isobutyl-13-methyl-5-(2-methylsulfaShow More

    Mol. Formula:
    C41H52N8O7S

    M.W.:
    800.98

    Type:
    Small molecule

    AlogP:
    1.52

    Polar Surface Area:
    215.90

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  11. ALA3349687

    Name:
    Bis(3-[14-Benzyl-11-(1H-indol-3-ylmethyl)-2-isobutyl-13-methyl-5-(2-methylsShow More

    Mol. Formula:
    C82H102N16O14S2

    M.W.:
    1599.95

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA3349686

    Name:
    3-[14-Benzyl-11-(1H-indol-3-ylmethyl)-2-isobutyl-5-(2-methylsulfanyl-ethyl)Show More

    Mol. Formula:
    C40H50N8O7S

    M.W.:
    786.96

    Type:
    Small molecule

    AlogP:
    1.18

    Polar Surface Area:
    224.69

    HBA:
    8

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  13. ALA3349683

    Name:
    3-[14-Benzyl-2-isobutyl-11-methyl-5-(2-methylsulfanyl-ethyl)-11-naphthalen-Show More

    Mol. Formula:
    C42H51N7O7S

    M.W.:
    797.98

    Type:
    Small molecule

    AlogP:
    2.16

    Polar Surface Area:
    208.90

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  14. ALA3349660

    Name:
    11,14-Dibenzyl-2-isobutyl-8-methyl-5-(2-methylsulfanyl-ethyl)-1,4,7,10,13,1Show More

    Mol. Formula:
    C36H46N6O6S

    M.W.:
    690.87

    Type:
    Small molecule

    AlogP:
    1.45

    Polar Surface Area:
    165.81

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  15. ALA3349620

    Name:
    3-[8-Benzyl-5-(1H-indol-3-ylmethyl)-14-isobutyl-17-(2-methylsulfanyl-ethyl)Show More

    Mol. Formula:
    C38H50N8O7S

    M.W.:
    762.93

    Type:
    Protein

    AlogP:
    0.57

    Polar Surface Area:
    233.48

    HBA:
    8

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  16. ALA3349619

    Name:
    3-[5-Benzyl-8-(1H-indol-3-ylmethyl)-17-isobutyl-14-(2-methylsulfanyl-ethyl)Show More

    Mol. Formula:
    C41H54N8O7S

    M.W.:
    803.00

    Type:
    Protein

    AlogP:
    1.45

    Polar Surface Area:
    224.69

    HBA:
    8

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  17. ALA3349572

    Name:
    19-Benzyl-16-(1H-indol-3-ylmethyl)-2-isobutyl-5-(2-methylsulfanyl-ethyl)-1,Show More

    Mol. Formula:
    C42H55N7O6S

    M.W.:
    786.01

    Type:
    Small molecule

    AlogP:
    3.50

    Polar Surface Area:
    181.60

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  18. ALA3349531

    Name:
    3-[8-Benzyl-5-(1H-indol-3-ylmethyl)-11-isobutyl-14-(2-methylsulfanyl-ethyl)Show More

    Mol. Formula:
    C36H47N7O6S

    M.W.:
    705.88

    Type:
    Protein

    AlogP:
    1.46

    Polar Surface Area:
    204.38

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  19. ALA3349511

    Name:
    3-[17-Benzyl-14-(4-hydroxy-benzyl)-2-isobutyl-5-(2-methylsulfanyl-ethyl)-3,Show More

    Mol. Formula:
    C40H52N8O9S

    M.W.:
    820.97

    Type:
    Small molecule

    AlogP:
    -0.48

    Polar Surface Area:
    258.23

    HBA:
    10

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  20. ALA3349462

    Name:
    3-[17,20-Dibenzyl-2-isobutyl-5-(2-methylsulfanyl-ethyl)-3,6,12,15,18,21,26-Show More

    Mol. Formula:
    C43H56N8O8S

    M.W.:
    845.04

    Type:
    Small molecule

    AlogP:
    0.69

    Polar Surface Area:
    229.21

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
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