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  1. ALA5278745

    Name:
    Varioxepine A

    Mol. Formula:
    C26H29N3O5

    M.W.:
    463.53

    Type:
    ---

    AlogP:
    2.98

    Polar Surface Area:
    81.62

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  2. ALA5287649

    Name:
    5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

    Mol. Formula:
    C8H6N4

    M.W.:
    158.16

    Type:
    ---

    AlogP:
    0.91

    Polar Surface Area:
    53.98

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  3. ALA5183491

    Name:
    Emerone B

    Mol. Formula:
    C22H30O7

    M.W.:
    406.48

    Type:
    ---

    AlogP:
    2.04

    Polar Surface Area:
    106.20

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  4. ALA4796079

    Name:
    Clifednamide J

    Mol. Formula:
    C29H36N2O6

    M.W.:
    508.62

    Type:
    Unknown

    AlogP:
    2.04

    Polar Surface Area:
    135.96

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  5. ALA4794656

    Name:
    Clifednamide I

    Mol. Formula:
    C29H36N2O6

    M.W.:
    508.62

    Type:
    Unknown

    AlogP:
    3.54

    Polar Surface Area:
    146.79

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  6. ALA4791755

    Name:
    Clifednamide A

    Mol. Formula:
    C29H36N2O5

    M.W.:
    492.62

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    112.57

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  7. ALA4779599

    Name:
    Clifednamide F

    Mol. Formula:
    C29H34N2O5

    M.W.:
    490.60

    Type:
    Unknown

    AlogP:
    3.28

    Polar Surface Area:
    112.57

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA4753905

    Name:
    Clifednamide G

    Mol. Formula:
    C29H34N2O6

    M.W.:
    506.60

    Type:
    Unknown

    AlogP:
    2.25

    Polar Surface Area:
    132.80

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  9. ALA4751548

    Name:
    Clifednamide D

    Mol. Formula:
    C29H36N2O7

    M.W.:
    524.61

    Type:
    Unknown

    AlogP:
    2.63

    Polar Surface Area:
    163.86

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  10. ALA4750141

    Name:
    Clifednamide B

    Mol. Formula:
    C29H36N2O6

    M.W.:
    508.62

    Type:
    Unknown

    AlogP:
    2.17

    Polar Surface Area:
    132.80

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  11. ALA4747446

    Name:
    Clifednamide E

    Mol. Formula:
    C29H36N2O7

    M.W.:
    524.61

    Type:
    Unknown

    AlogP:
    1.14

    Polar Surface Area:
    153.03

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  12. ALA4744807

    Name:
    Clifednamide H

    Mol. Formula:
    C29H34N2O7

    M.W.:
    522.60

    Type:
    Unknown

    AlogP:
    2.72

    Polar Surface Area:
    163.86

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  13. ALA4291592

    Name:
    (2S,3R,4S,5S,6R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,4R,5R,6R)-3-aminShow More

    Mol. Formula:
    C26H52N4O11

    M.W.:
    596.72

    Type:
    Small molecule

    AlogP:
    -3.91

    Polar Surface Area:
    271.61

    HBA:
    15

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  14. ALA4283734

    Name:
    (2S,3R,4S,5S,6R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,4R,5S,6R)-3-aminShow More

    Mol. Formula:
    C26H52N4O11

    M.W.:
    596.72

    Type:
    Small molecule

    AlogP:
    -3.91

    Polar Surface Area:
    271.61

    HBA:
    15

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  15. ALA4276736

    Name:
    (2S,3R,4S,5S,6R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,4R,5S,6R)-3-aminShow More

    Mol. Formula:
    C26H52N4O11

    M.W.:
    596.72

    Type:
    Small molecule

    AlogP:
    -3.91

    Polar Surface Area:
    271.61

    HBA:
    15

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  16. ALA3589944

    Name:
    (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-((1R,2S,3S,4R,6S)-4,6-diamino-3-Show More

    Mol. Formula:
    C30H61N5O9

    M.W.:
    635.84

    Type:
    Small molecule

    AlogP:
    -1.35

    Polar Surface Area:
    257.17

    HBA:
    14

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  17. ALA3589943

    Name:
    (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-((1R,2S,3S,4R,6S)-4,6-diamino-3-Show More

    Mol. Formula:
    C22H45N5O9

    M.W.:
    523.63

    Type:
    Small molecule

    AlogP:
    -4.47

    Polar Surface Area:
    257.17

    HBA:
    14

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  18. ALA3588979

    Name:
    6''-O-octanesulfonylkanamycin A

    Mol. Formula:
    C27H55N5O12S

    M.W.:
    673.83

    Type:
    Small molecule

    AlogP:
    -4.22

    Polar Surface Area:
    311.54

    HBA:
    17

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  19. ALA3588978

    Name:
    2-((2R,3S,4S,5R,6R)-4-amino-6-((1S,2R,3R,4S,6R)-4,6-diamino-3-((2R,3R,4S,5SShow More

    Mol. Formula:
    C26H44N4O13S

    M.W.:
    652.72

    Type:
    Small molecule

    AlogP:
    -5.18

    Polar Surface Area:
    305.75

    HBA:
    17

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  20. ALA3588977

    Name:
    (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-((1R,2S,3S,4R,6S)-4,6-diamino-3-Show More

    Mol. Formula:
    C27H55N5O9S

    M.W.:
    625.83

    Type:
    Small molecule

    AlogP:
    -2.83

    Polar Surface Area:
    268.17

    HBA:
    15

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
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