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  1. ALA5207595

    Name:
    (S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-2-((R)-2-hydroxy-3-phenylpropaShow More

    Mol. Formula:
    C25H35N5O6

    M.W.:
    501.58

    Type:
    ---

    AlogP:
    -0.14

    Polar Surface Area:
    201.02

    HBA:
    7

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  2. ALA5191864

    Name:
    Spiroidesin B

    Mol. Formula:
    C32H37N3O8

    M.W.:
    591.66

    Type:
    ---

    AlogP:
    2.56

    Polar Surface Area:
    185.29

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  3. ALA5191296

    Name:
    Nostosin G

    Mol. Formula:
    C25H33N5O6

    M.W.:
    499.57

    Type:
    ---

    AlogP:
    0.07

    Polar Surface Area:
    197.86

    HBA:
    7

    HBD:
    8

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  4. ALA4797897

    Name:
    2,6-Diamino-N-(4-oxo-3-propyl-4H-chromen-7-yl)hexanamide

    Mol. Formula:
    C18H25N3O3

    M.W.:
    331.42

    Type:
    Unknown

    AlogP:
    2.14

    Polar Surface Area:
    111.35

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  5. ALA4753151

    Name:
    2,6-Diamino-N-(6-methoxy-4-oxo-3-propyl-4H-chromen-7-yl)-hexanamide

    Mol. Formula:
    C19H27N3O4

    M.W.:
    361.44

    Type:
    Unknown

    AlogP:
    2.15

    Polar Surface Area:
    120.58

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  6. ALA4749845

    Name:
    Hexyl-epsilon-guanidinocaproate

    Mol. Formula:
    C13H27N3O2

    M.W.:
    257.38

    Type:
    Unknown

    AlogP:
    2.15

    Polar Surface Area:
    88.20

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  7. ALA4740892

    Name:
    Phenyl-epsilon-guanidinocaproate

    Mol. Formula:
    C13H19N3O2

    M.W.:
    249.31

    Type:
    Unknown

    AlogP:
    1.64

    Polar Surface Area:
    88.20

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  8. ALA4469483

    Name:
    H-Tyr-D-Arg-Phe-Phe-NH2

    Mol. Formula:
    C33H42N8O5

    M.W.:
    630.75

    Type:
    Unknown

    AlogP:
    -0.05

    Polar Surface Area:
    238.54

    HBA:
    7

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  9. ALA4437757

    Name:
    4-Aminophenyl (4-guanidinophenyl)carbamate

    Mol. Formula:
    C14H15N5O2

    M.W.:
    285.31

    Type:
    Unknown

    AlogP:
    2.19

    Polar Surface Area:
    126.25

    HBA:
    4

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  10. ALA4292973

    Name:
    (S)-4-((S)-2-((S)-1-((S)-2-(4-(((S)-2-((S)-1-((2S,5S,8S)-2-((1H-imidazol-4-Show More

    Mol. Formula:
    C73H102N26O15S

    M.W.:
    1615.85

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA4292287

    Name:
    (S)-4-((S)-2-((S)-1-((S)-2-(2-((S)-2-((S)-1-((2S,5S,8S)-2-((1H-imidazol-4-yShow More

    Mol. Formula:
    C71H101N25O16S

    M.W.:
    1592.82

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA4287663

    Name:
    (S)-N-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-Show More

    Mol. Formula:
    C65H86N20O15

    M.W.:
    1387.53

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA4279759

    Name:
    (S)-N-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-Show More

    Mol. Formula:
    C67H87N21O14

    M.W.:
    1410.57

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA4176792

    Name:
    Jizanpeptin C

    Mol. Formula:
    C47H75BrN8O16S

    M.W.:
    1120.13

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA4176442

    Name:
    Jizanpeptin A

    Mol. Formula:
    C46H73BrN8O16S

    M.W.:
    1106.10

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA4173435

    Name:
    Jizanpeptin E

    Mol. Formula:
    C47H75BrN10O16S

    M.W.:
    1148.14

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA4166165

    Name:
    Jizanpeptin B

    Mol. Formula:
    C47H75BrN8O16S

    M.W.:
    1120.13

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA4162725

    Name:
    Jizanpeptin D

    Mol. Formula:
    C48H77BrN8O16S

    M.W.:
    1134.15

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA4159349

    Name:
    Symplocamide A

    Mol. Formula:
    C46H71BrN10O13

    M.W.:
    1052.03

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA3828410

    Name:
    N1,N2-bis(4-carbamimidoylphenyl)oxalamide

    Mol. Formula:
    C16H16N6O2

    M.W.:
    324.34

    Type:
    Small molecule

    AlogP:
    0.83

    Polar Surface Area:
    157.94

    HBA:
    4

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
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