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  1. ALA356696

    Name:
    (R)-4-(3,4-Dichloro-benzoylamino)-4-{[(isopropyl-phenyl-carbamoyl)-methyl]-Show More

    Mol. Formula:
    C28H35Cl2N3O5

    M.W.:
    564.51

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    107.02

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  2. ALA435235

    Name:
    (R)-4-{[(Isopropyl-phenyl-carbamoyl)-methyl]-pentyl-carbamoyl}-4-(3-phenyl-Show More

    Mol. Formula:
    C28H38N4O5

    M.W.:
    510.64

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    119.05

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  3. ALA357983

    Name:
    (R)-4-({[Isopropyl-(4-methoxy-phenyl)-carbamoyl]-methyl}-phenyl-carbamoyl)-Show More

    Mol. Formula:
    C30H34N4O6

    M.W.:
    546.62

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    128.28

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  4. ALA421778

    Name:
    N-[(Isopropyl-phenyl-carbamoyl)-methyl]-N-phenyl-2-(3-phenyl-ureido)-acetamShow More

    Mol. Formula:
    C26H28N4O3

    M.W.:
    444.54

    Type:
    Small molecule

    AlogP:
    4.28

    Polar Surface Area:
    81.75

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  5. ALA146206

    Name:
    (R)-4-{[(Isopropyl-phenyl-carbamoyl)-methyl]-phenyl-carbamoyl}-4-(3-phenyl-Show More

    Mol. Formula:
    C29H32N4O5

    M.W.:
    516.60

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    119.05

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  6. ALA346160

    Name:
    (S)-4-({[Isopropyl-(4-methoxy-phenyl)-carbamoyl]-methyl}-phenyl-carbamoyl)-Show More

    Mol. Formula:
    C30H34N4O6

    M.W.:
    546.62

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    128.28

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  7. ALA405243

    Name:
    D-Tyr-Gly-[(Nle28,31,Bpa29)CCK-26-33]

    Mol. Formula:
    C76H87N11O18

    M.W.:
    1442.59

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA438912

    Name:
    D-Tyr-Gly-[(Nle28,31,Bpa33)CCK-26-33]

    Mol. Formula:
    C69H81N11O18

    M.W.:
    1352.47

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA410965

    Name:
    D-Tyr-Gly-[(Nle28,31,Bpa29,33)CCK-26-33]

    Mol. Formula:
    C83H91N11O19

    M.W.:
    1546.70

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA290143

    Name:
    (S)-3-[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-Show More

    Mol. Formula:
    C43H53N7O9S

    M.W.:
    844.00

    Type:
    Small molecule

    AlogP:
    3.66

    Polar Surface Area:
    242.12

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  11. ALA290142

    Name:
    (S)-3-{[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]Show More

    Mol. Formula:
    C43H53N7O9S

    M.W.:
    844.00

    Type:
    Small molecule

    AlogP:
    3.66

    Polar Surface Area:
    242.12

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  12. ALA290034

    Name:
    (S)-3-{[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]Show More

    Mol. Formula:
    C44H55N7O9S

    M.W.:
    858.03

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    233.33

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  13. ALA432293

    Name:
    (S)-3-({(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]Show More

    Mol. Formula:
    C46H57N7O10

    M.W.:
    868.00

    Type:
    Small molecule

    AlogP:
    3.65

    Polar Surface Area:
    253.56

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  14. ALA289744

    Name:
    (S)-3-{[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]Show More

    Mol. Formula:
    C44H54N8O9

    M.W.:
    838.96

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    255.01

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  15. ALA411466

    Name:
    (S)-3-{(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-Show More

    Mol. Formula:
    C45H55N7O10

    M.W.:
    853.97

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    262.35

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  16. ALA289284

    Name:
    (S)-3-{[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]Show More

    Mol. Formula:
    C45H56N8O9

    M.W.:
    852.99

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    246.22

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  17. ALA290936

    Name:
    (S)-3-({(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]Show More

    Mol. Formula:
    C45H55N7O10

    M.W.:
    853.97

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    262.35

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
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