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  1. ALA4649759

    Name:
    Sekikaic acid

    Mol. Formula:
    C22H26O8

    M.W.:
    418.44

    Type:
    Unknown

    AlogP:
    3.94

    Polar Surface Area:
    122.52

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  2. ALA4649449

    Name:
    Viriditoxin

    Mol. Formula:
    C34H30O14

    M.W.:
    662.60

    Type:
    Unknown

    AlogP:
    3.79

    Polar Surface Area:
    204.58

    HBA:
    14

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  3. ALA4649296

    Name:
    (-)-Ageloxime D

    Mol. Formula:
    C26H40N5O+

    M.W.:
    438.64

    Type:
    Unknown

    AlogP:
    5.58

    Polar Surface Area:
    66.85

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  4. ALA4649251

    Name:
    2-Hydroxy-4-methoxy-phenyl-acetonitrile

    Mol. Formula:
    C9H9NO2

    M.W.:
    163.18

    Type:
    Unknown

    AlogP:
    1.47

    Polar Surface Area:
    53.25

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.72

    DETAILS
  5. ALA4649152

    Name:
    Stemphyperylenol

    Mol. Formula:
    C20H16O6

    M.W.:
    352.34

    Type:
    Unknown

    AlogP:
    1.57

    Polar Surface Area:
    115.06

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  6. ALA4646753

    Name:
    Fusarielin J

    Mol. Formula:
    C33H46O6

    M.W.:
    538.73

    Type:
    Unknown

    AlogP:
    4.78

    Polar Surface Area:
    99.52

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  7. ALA4646330

    Name:
    Aranorosin

    Mol. Formula:
    C23H33NO6

    M.W.:
    419.52

    Type:
    Unknown

    AlogP:
    2.18

    Polar Surface Area:
    100.69

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  8. ALA4644766

    Name:
    Kahalalide F

    Mol. Formula:
    C75H124N14O16

    M.W.:
    1477.90

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA4644696

    Name:
    Feralolide

    Mol. Formula:
    C18H16O7

    M.W.:
    344.32

    Type:
    Unknown

    AlogP:
    2.04

    Polar Surface Area:
    124.29

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  10. ALA4643669

    Name:
    3-Methoxybutyl gallate

    Mol. Formula:
    C12H16O6

    M.W.:
    256.25

    Type:
    Unknown

    AlogP:
    1.39

    Polar Surface Area:
    96.22

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  11. ALA4642808

    Name:
    5-epi-Nakijiquinone C

    Mol. Formula:
    C24H33NO6

    M.W.:
    431.53

    Type:
    Unknown

    AlogP:
    3.06

    Polar Surface Area:
    123.93

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  12. ALA4641448

    Name:
    18-Dehydroxy-cytochalasin H

    Mol. Formula:
    C30H39NO4

    M.W.:
    477.65

    Type:
    Unknown

    AlogP:
    4.62

    Polar Surface Area:
    75.63

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  13. ALA4640358

    Name:
    Enniatin A1

    Mol. Formula:
    C35H61N3O9

    M.W.:
    667.88

    Type:
    Unknown

    AlogP:
    3.93

    Polar Surface Area:
    139.83

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  14. ALA4640246

    Name:
    Bionectriamide A

    Mol. Formula:
    C42H55N5O10

    M.W.:
    789.93

    Type:
    Unknown

    AlogP:
    2.51

    Polar Surface Area:
    191.96

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  15. ALA4639844

    Name:
    Callyaerin F

    Mol. Formula:
    C58H83N11O10

    M.W.:
    1094.37

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA4637771

    Name:
    Corynesidone C

    Mol. Formula:
    C15H12O6

    M.W.:
    288.25

    Type:
    Unknown

    AlogP:
    2.75

    Polar Surface Area:
    96.22

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  17. ALA4637482

    Name:
    Beauvericin J

    Mol. Formula:
    C45H57N3O10

    M.W.:
    799.96

    Type:
    Unknown

    AlogP:
    4.62

    Polar Surface Area:
    160.06

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  18. ALA4636715

    Name:
    Homosekikaic acid

    Mol. Formula:
    C24H30O8

    M.W.:
    446.50

    Type:
    Unknown

    AlogP:
    4.72

    Polar Surface Area:
    122.52

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  19. ALA4636594

    Name:
    5-epi-Nakijiquinone Q

    Mol. Formula:
    C29H37NO3

    M.W.:
    447.62

    Type:
    Unknown

    AlogP:
    5.86

    Polar Surface Area:
    66.40

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  20. ALA4635023

    Name:
    (E)-Methyl-3-(4-methoxyphenoxy)propenoate

    Mol. Formula:
    C11H12O4

    M.W.:
    208.21

    Type:
    Unknown

    AlogP:
    1.76

    Polar Surface Area:
    44.76

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
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