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  1. ALA1159468

    Name:
    2-[6,7,8,11,12,22,23-heptahydroxy-3,16-dioxo-21-(3
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    Mol. Formula:
    C34H26O23

    M.W.:
    802.56

    Type:
    Small molecule

    AlogP:
    0.61

    Polar Surface Area:
    397.65

    HBA:
    22

    HBD:
    14

    #RO5 Violations:
    3

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  2. ALA1159467

    Name:
    Tannin

    Mol. Formula:
    C48H32O32

    M.W.:
    1120.75

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA1159466

    Name:
    1,2,2,14,15,16,19,20,21,35,36-undecahydroxy-3,6,11
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    Mol. Formula:
    C41H28O27

    M.W.:
    952.65

    Type:
    Small molecule

    AlogP:
    -1.10

    Polar Surface Area:
    450.25

    HBA:
    27

    HBD:
    14

    #RO5 Violations:
    3

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  4. ALA1159463

    Name:
    5-hydroxy-2,3,4-tri(3,4,5-trihydroxyphenylcarbonyl
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    Mol. Formula:
    C34H28O22

    M.W.:
    788.58

    Type:
    Small molecule

    AlogP:
    0.70

    Polar Surface Area:
    377.42

    HBA:
    22

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  5. ALA1159462

    Name:
    4,5-dihydroxy-3,6-di(3,4,5-trihydroxyphenylcarbony
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    Mol. Formula:
    C27H24O18

    M.W.:
    636.47

    Type:
    Small molecule

    AlogP:
    -0.28

    Polar Surface Area:
    310.66

    HBA:
    18

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  6. ALA1159461

    Name:
    7,7,8,12,13,22-hexahydroxy-21-hydroxymethyl-3,6,16
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    Mol. Formula:
    C27H22O19

    M.W.:
    650.45

    Type:
    Small molecule

    AlogP:
    -3.04

    Polar Surface Area:
    316.73

    HBA:
    19

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  7. ALA1159460

    Name:
    6,7,11,12,12-pentahydroxy-3,13,16-trioxo-21,22-di(
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    Mol. Formula:
    C41H30O27

    M.W.:
    954.66

    Type:
    Small molecule

    AlogP:
    -1.08

    Polar Surface Area:
    450.25

    HBA:
    27

    HBD:
    14

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  8. ALA1159459

    Name:
    2-[13,17,18-trihydroxy-2,10,14-trioxo-5,21-di(3,4,
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    Mol. Formula:
    C41H32O27

    M.W.:
    956.68

    Type:
    Small molecule

    AlogP:
    0.02

    Polar Surface Area:
    447.09

    HBA:
    26

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  9. ALA4558004

    Name:
    Stelleramacrin

    Mol. Formula:
    C37H50O11

    M.W.:
    670.80

    Type:
    Unknown

    AlogP:
    2.46

    Polar Surface Area:
    167.67

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  10. ALA4537465

    Name:
    5,20,2'-Triacetoxygnidimacrin

    Mol. Formula:
    C50H60O15

    M.W.:
    901.01

    Type:
    Unknown

    AlogP:
    6.04

    Polar Surface Area:
    191.95

    HBA:
    15

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  11. ALA4533733

    Name:
    3-O-(trans-Cinnamoyl)Stelleramacrin

    Mol. Formula:
    C46H56O12

    M.W.:
    800.94

    Type:
    Unknown

    AlogP:
    4.73

    Polar Surface Area:
    173.74

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  12. ALA4528495

    Name:
    3-O-(2-Naphthoyl)Stelleramacrin

    Mol. Formula:
    C48H56O12

    M.W.:
    824.96

    Type:
    Unknown

    AlogP:
    5.48

    Polar Surface Area:
    173.74

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  13. ALA4475196

    Name:
    2'-O-(4-Nitrobenzoyl)gnidimacrin

    Mol. Formula:
    C51H57NO15

    M.W.:
    924.01

    Type:
    Unknown

    AlogP:
    6.10

    Polar Surface Area:
    222.95

    HBA:
    15

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  14. ALA4587471

    Name:
    3-O-(4-Pyridinylcarbonyl)Stelleramacrin

    Mol. Formula:
    C43H53NO12

    M.W.:
    775.89

    Type:
    Unknown

    AlogP:
    3.72

    Polar Surface Area:
    186.63

    HBA:
    13

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  15. ALA4586553

    Name:
    20-(2,2-Dimethylsuccinoxy)Gnidimacrin

    Mol. Formula:
    C50H62O15

    M.W.:
    903.03

    Type:
    Unknown

    AlogP:
    5.38

    Polar Surface Area:
    217.11

    HBA:
    14

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  16. ALA4580556

    Name:
    2'-O-(2-Naphthoyl)gnidimacrin

    Mol. Formula:
    C55H60O13

    M.W.:
    929.07

    Type:
    Unknown

    AlogP:
    7.34

    Polar Surface Area:
    179.81

    HBA:
    13

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  17. ALA4578026

    Name:
    2'-O-Benzoylgnidimacrin

    Mol. Formula:
    C51H58O13

    M.W.:
    879.01

    Type:
    Unknown

    AlogP:
    6.19

    Polar Surface Area:
    179.81

    HBA:
    13

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  18. ALA4575056

    Name:
    2'-Oxognidimacrin

    Mol. Formula:
    C44H52O12

    M.W.:
    772.89

    Type:
    Unknown

    AlogP:
    4.54

    Polar Surface Area:
    170.58

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  19. ALA4460901

    Name:
    3,18-Debenzoyl Gnidimacrin

    Mol. Formula:
    C30H46O10

    M.W.:
    566.69

    Type:
    Unknown

    AlogP:
    0.60

    Polar Surface Area:
    161.60

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  20. ALA4444766

    Name:
    5-Oxognidimacrin

    Mol. Formula:
    C44H52O12

    M.W.:
    772.89

    Type:
    Unknown

    AlogP:
    4.54

    Polar Surface Area:
    170.58

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
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