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  1. ALA4647581

    Name:
    [(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-bromobenzoyl)amino]-3-phenyl-propanoShow More

    Mol. Formula:
    C73H87BrN11O15S+

    M.W.:
    1470.53

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA4646516

    Name:
    [(5S)-6-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]-5-[[(2S)-2-[[(2Show More

    Mol. Formula:
    C54H68N9O12S+

    M.W.:
    1067.26

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4643012

    Name:
    [(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amShow More

    Mol. Formula:
    C75H95N12O17S+

    M.W.:
    1468.72

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA4640223

    Name:
    [(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-bromobenzoyl)amino]-3-phenyl-propanoShow More

    Mol. Formula:
    C73H85BrN11O16S+

    M.W.:
    1484.51

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA4640186

    Name:
    [(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amShow More

    Mol. Formula:
    C73H93N12O17S+

    M.W.:
    1442.68

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4637043

    Name:
    [(5S)-6-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]-5-[[(2S)-2-[[(2Show More

    Mol. Formula:
    C63H77N10O13S+

    M.W.:
    1214.43

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA4635096

    Name:
    [(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-bromobenzoyl)amino]-3-phenyl-propanoShow More

    Mol. Formula:
    C71H87BrN11O16S+

    M.W.:
    1462.51

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA3706386

    Name:
    SID85201803

    Mol. Formula:
    C30H46O16S2

    M.W.:
    726.82

    Type:
    Small molecule

    AlogP:
    1.67

    Polar Surface Area:
    249.72

    HBA:
    13

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  9. ALA3392618

    Name:
    SID99431160

    Mol. Formula:
    C17H14N6O3S2

    M.W.:
    414.47

    Type:
    Small molecule

    AlogP:
    1.88

    Polar Surface Area:
    143.72

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  10. ALA3392609

    Name:
    SID26755415

    Mol. Formula:
    C15H16Br2N2O2S

    M.W.:
    448.18

    Type:
    Small molecule

    AlogP:
    4.83

    Polar Surface Area:
    59.06

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  11. ALA3392590

    Name:
    SID85267178

    Mol. Formula:
    C22H25N5O7S2

    M.W.:
    535.60

    Type:
    Small molecule

    AlogP:
    0.13

    Polar Surface Area:
    160.70

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  12. ALA3391769

    Name:
    SID47193453

    Mol. Formula:
    C31H48O6

    M.W.:
    516.72

    Type:
    Small molecule

    AlogP:
    5.91

    Polar Surface Area:
    71.06

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  13. ALA3391735

    Name:
    SID93576599

    Mol. Formula:
    C28H29NO4

    M.W.:
    443.54

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    9.23

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  14. ALA3214448

    Name:
    SID861671

    Mol. Formula:
    C11H24N4O2

    M.W.:
    244.34

    Type:
    Small molecule

    AlogP:
    -0.12

    Polar Surface Area:
    76.96

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  15. ALA3214384

    Name:
    SID47200621

    Mol. Formula:
    C16H18ClNO3

    M.W.:
    307.78

    Type:
    Small molecule

    AlogP:
    2.21

    Polar Surface Area:
    66.40

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  16. ALA3214292

    Name:
    SID14732125

    Mol. Formula:
    C15H13N5O

    M.W.:
    279.30

    Type:
    Small molecule

    AlogP:
    1.58

    Polar Surface Area:
    72.17

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  17. ALA3214131

    Name:
    SID24813453

    Mol. Formula:
    C26H35N3O4

    M.W.:
    453.58

    Type:
    Small molecule

    AlogP:
    3.06

    Polar Surface Area:
    87.74

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  18. ALA3214104

    Name:
    SID49829362

    Mol. Formula:
    C20H26N2O4S2

    M.W.:
    422.57

    Type:
    Small molecule

    AlogP:
    3.27

    Polar Surface Area:
    76.04

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  19. ALA3213971

    Name:
    SID47196169

    Mol. Formula:
    C13H19BrN2OS

    M.W.:
    331.28

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    24.83

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.60

    DETAILS
  20. ALA3213970

    Name:
    SID74373571

    Mol. Formula:
    C28H37F3N2O6S

    M.W.:
    586.67

    Type:
    Small molecule

    AlogP:
    4.43

    Polar Surface Area:
    66.92

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
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