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  1. ALA4876582

    Name:
    Icacinol

    Mol. Formula:
    C20H26O7

    M.W.:
    378.42

    Type:
    Unknown

    AlogP:
    0.47

    Polar Surface Area:
    105.45

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA4874510

    Name:
    (+/-)-5-hydroxy-6-(1-hydroxyethyl)-2,7-dimethoxy-1
    Show More

    Cas Number:
    86108-17-0

    Mol. Formula:
    C14H14O6

    M.W.:
    278.26

    Type:
    Unknown

    AlogP:
    1.36

    Polar Surface Area:
    93.06

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  3. ALA4873722

    Name:
    (+/-)-(1'-Methoxy)-6-ethyl-2,7-dimethoxyjuglone

    Mol. Formula:
    C15H16O6

    M.W.:
    292.29

    Type:
    Unknown

    AlogP:
    2.02

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  4. ALA4873261

    Name:
    Misakimycin

    Cas Number:
    91776-49-7

    Mol. Formula:
    C13H12O5

    M.W.:
    248.23

    Type:
    Unknown

    AlogP:
    1.62

    Polar Surface Area:
    72.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  5. ALA5286477

    Name:
    2-amino-5'-fluoro-2',5-dioxo-5H-spiro[indeno[1,2-b
    Show More

    Mol. Formula:
    C20H10FN3O3

    M.W.:
    359.32

    Type:
    ---

    AlogP:
    2.35

    Polar Surface Area:
    105.21

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  6. ALA5282982

    Name:
    1-(7-methoxy-1-(10H-phenothiazine-3-carbonyl)indol
    Show More

    Mol. Formula:
    C24H18N2O3S

    M.W.:
    414.49

    Type:
    ---

    AlogP:
    5.59

    Polar Surface Area:
    59.81

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  7. ALA5279905

    Name:
    5-Chloro-N4-(4-methoxyphenyl)-N4,2-dimethyl-N6-pro
    Show More

    Mol. Formula:
    C16H21ClN4O

    M.W.:
    320.82

    Type:
    ---

    AlogP:
    4.04

    Polar Surface Area:
    50.28

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  8. ALA5278050

    Name:
    Ohmline

    Mol. Formula:
    C32H62O13

    M.W.:
    654.84

    Type:
    ---

    AlogP:
    1.14

    Polar Surface Area:
    196.99

    HBA:
    13

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  9. ALA4864359

    Name:
    14alpha-methoxyhumirianthol

    Mol. Formula:
    C21H28O7

    M.W.:
    392.45

    Type:
    Unknown

    AlogP:
    1.12

    Polar Surface Area:
    94.45

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  10. ALA4864288

    Name:
    Icacinlactone M

    Mol. Formula:
    C20H30O4

    M.W.:
    334.46

    Type:
    Unknown

    AlogP:
    2.82

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  11. ALA4863493

    Name:
    Icacinlactone N 3-O-beta-D-glucopyranoside; 14,16-
    Show More

    Mol. Formula:
    C26H32O11

    M.W.:
    520.53

    Type:
    Unknown

    AlogP:
    -0.25

    Polar Surface Area:
    168.28

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  12. ALA5289810

    Name:
    2-amino-5'-chloro-2',5-dioxo-5H-spiro[indeno[1,2-b
    Show More

    Mol. Formula:
    C20H10ClN3O3

    M.W.:
    375.77

    Type:
    ---

    AlogP:
    2.86

    Polar Surface Area:
    105.21

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  13. ALA4857434

    Name:
    Kirschsteinin B; (+/-)-6-ethyl-3-[1-(5,8-dihydro-1
    Show More

    Mol. Formula:
    C27H24O10

    M.W.:
    508.48

    Type:
    Unknown

    AlogP:
    3.58

    Polar Surface Area:
    156.66

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. ALA1096195

    Name:
    7-methy-10-hydroxyhomocamptothecin

    Mol. Formula:
    C22H20N2O5

    M.W.:
    392.41

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    101.65

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  15. ALA1098976

    Name:
    (12S,27S)-12-[2-(methylamino)ethyl]-27-(propan-2-y
    Show More

    Mol. Formula:
    C28H25N9O8

    M.W.:
    615.56

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    226.41

    HBA:
    15

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  16. ALA4791129

    Name:
    1-(Pyridin-2-yl)nonadecan-2-ol

    Mol. Formula:
    C24H43NO

    M.W.:
    361.61

    Type:
    Unknown

    AlogP:
    7.25

    Polar Surface Area:
    33.12

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  17. ALA4789801

    Name:
    2-(2-methoxyhenicosyl)pyridine

    Mol. Formula:
    C27H49NO

    M.W.:
    403.70

    Type:
    Unknown

    AlogP:
    8.68

    Polar Surface Area:
    22.12

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  18. ALA4848730

    Name:
    Icacinlactone H 2-O-beta-D-glucopyranoside; 3beta,
    Show More

    Mol. Formula:
    C26H30O12

    M.W.:
    534.51

    Type:
    Unknown

    AlogP:
    -0.91

    Polar Surface Area:
    177.51

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  19. ALA4848609

    Name:
    3R,4S-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dehy
    Show More

    Mol. Formula:
    C14H18O5

    M.W.:
    266.29

    Type:
    Unknown

    AlogP:
    1.60

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  20. ALA2299062

    Name:
    N-(2-Chlorobenzyl)-2-[(3-methyl-2-oxo-2H-[1,2,4]tr
    Show More

    Mol. Formula:
    C20H16ClN5O2S

    M.W.:
    425.90

    Type:
    Small molecule

    AlogP:
    3.01

    Polar Surface Area:
    89.25

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
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