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  1. ALA2298386

    Name:
    (6R,9R,12R,15R,18R)-6-(4-aminobutyl)-15-(4-hydroxy
    Show More

    Mol. Formula:
    C36H58N8O9

    M.W.:
    746.91

    Type:
    Protein

    AlogP:
    -0.84

    Polar Surface Area:
    270.18

    HBA:
    10

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  2. ALA2298385

    Name:
    (2R,5R,8R,11R,14R,17R,20R,23R,26R,29R,32R,35R)-35,
    Show More

    Mol. Formula:
    C71H122N26O13

    M.W.:
    1547.93

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA2298384

    Name:
    (2R,5R,8R,11R,14R,17R,20R)-20,24-diamino-17-(4-ami
    Show More

    Mol. Formula:
    C44H69N9O8

    M.W.:
    852.09

    Type:
    Protein

    AlogP:
    0.77

    Polar Surface Area:
    289.96

    HBA:
    10

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    28

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  4. ALA2288882

    Name:
    4-phenyl-3-butyn-2-one

    Cas Number:
    1817-57-8

    Mol. Formula:
    C10H8O

    M.W.:
    144.17

    Type:
    Small molecule

    AlogP:
    1.63

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.51

    DETAILS
  5. ALA4776150

    Name:
    3-bis(pyridin-2-ylmethyl)aminomethyl-5-hydroxybenz
    Show More

    Mol. Formula:
    C38H35BrN3OP

    M.W.:
    660.60

    Type:
    Unknown

    AlogP:
    6.88

    Polar Surface Area:
    49.25

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  6. ALA4525067

    Name:
    1-deoxy-D-sorbose

    Cas Number:
    64520-56-5

    Mol. Formula:
    C6H12O5

    M.W.:
    164.16

    Type:
    Unknown

    AlogP:
    -2.35

    Polar Surface Area:
    97.99

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  7. ALA4798865

    Name:
    L-Ribose

    Cas Number:
    41546-21-8

    Mol. Formula:
    C5H10O5

    M.W.:
    150.13

    Type:
    Unknown

    AlogP:
    -2.58

    Polar Surface Area:
    90.15

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  8. ALA4535505

    Name:
    1-deoxy-D-tagatose

    Mol. Formula:
    C6H12O5

    M.W.:
    164.16

    Type:
    Unknown

    AlogP:
    -2.35

    Polar Surface Area:
    97.99

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  9. ALA4535467

    Name:
    Diethyl-9-benzyl-3,8-dithia-9-azabicyclo[4.2.1]non
    Show More

    Mol. Formula:
    C19H23NO4S2

    M.W.:
    393.53

    Type:
    Unknown

    AlogP:
    3.06

    Polar Surface Area:
    55.84

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  10. ALA4092298

    Name:
    1beta,2alpha,8beta-Triacetoxy-9beta-benzoyloxy-bet
    Show More

    Mol. Formula:
    C28H36O9

    M.W.:
    516.59

    Type:
    Small molecule

    AlogP:
    3.62

    Polar Surface Area:
    114.43

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  11. ALA4529075

    Name:
    1-deoxy-D-allulose

    Mol. Formula:
    C6H12O5

    M.W.:
    164.16

    Type:
    Unknown

    AlogP:
    -2.35

    Polar Surface Area:
    97.99

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  12. ALA4483078

    Name:
    N-(((1-tert-butyl-1H-tetrazol-5-yl)(3-(3-methylben
    Show More

    Mol. Formula:
    C31H31N7O2

    M.W.:
    533.64

    Type:
    Unknown

    AlogP:
    6.55

    Polar Surface Area:
    95.82

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  13. ALA4482889

    Name:
    1-deoxy-L-sorbose

    Mol. Formula:
    C6H12O5

    M.W.:
    164.16

    Type:
    Unknown

    AlogP:
    -2.35

    Polar Surface Area:
    97.99

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  14. ALA4474077

    Name:
    1-deoxy-L-allulose

    Mol. Formula:
    C6H12O5

    M.W.:
    164.16

    Type:
    Unknown

    AlogP:
    -2.35

    Polar Surface Area:
    97.99

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  15. ALA4544848

    Name:
    Diethyl-9-(4-methoxybenzyl)-3,8-dithia-9-azabicycl
    Show More

    Mol. Formula:
    C20H25NO5S2

    M.W.:
    423.56

    Type:
    Unknown

    AlogP:
    3.07

    Polar Surface Area:
    65.07

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. ALA4543644

    Name:
    Diethyl-9-(4-fluorobenzyl)-3,8-dithia-9-azabicyclo
    Show More

    Mol. Formula:
    C19H22FNO4S2

    M.W.:
    411.52

    Type:
    Unknown

    AlogP:
    3.20

    Polar Surface Area:
    55.84

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  17. ALA4087336

    Name:
    Celaspermin E; 1alpha,6beta,8alpha-Triacetoxy-9alp
    Show More

    Mol. Formula:
    C28H34O10

    M.W.:
    530.57

    Type:
    Small molecule

    AlogP:
    2.80

    Polar Surface Area:
    131.50

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  18. ALA4642628

    Name:
    Celaspaculin M; 1alpha,6beta,8beta,15-Tetraacetoxy
    Show More

    Mol. Formula:
    C28H36O13

    M.W.:
    580.58

    Type:
    Unknown

    AlogP:
    1.87

    Polar Surface Area:
    174.10

    HBA:
    13

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  19. ALA4641466

    Name:
    celaspaculin L; 1alpha,2beta,8beta,15-Tetraacetoxy
    Show More

    Mol. Formula:
    C28H36O12

    M.W.:
    564.58

    Type:
    Unknown

    AlogP:
    2.76

    Polar Surface Area:
    153.87

    HBA:
    12

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  20. ALA4640337

    Name:
    Celaspaculin N; 1alpha,6beta-Diacetoxy-8beta,9beta
    Show More

    Mol. Formula:
    C29H34O13

    M.W.:
    590.58

    Type:
    Unknown

    AlogP:
    2.19

    Polar Surface Area:
    181.17

    HBA:
    13

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
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