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  1. ALA4514549

    Name:
    3-[9-(2-Chloro-benzyloxy)-10-methoxy-5,8,13,13a-te
    Show More

    Mol. Formula:
    C33H28ClN5O6

    M.W.:
    626.07

    Type:
    Unknown

    AlogP:
    6.25

    Polar Surface Area:
    124.91

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  2. ALA4514115

    Name:
    N-((R)-6-Amino-1-(4-((((S)-2'-(isopentyloxy)-[1,1'
    Show More

    Mol. Formula:
    C41H46ClN5O3

    M.W.:
    692.30

    Type:
    Unknown

    AlogP:
    8.18

    Polar Surface Area:
    104.29

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  3. ALA4513501

    Name:
    3-[9-(4-Chloro-benzyloxy)-10-methoxy-5,8,13,13a-te
    Show More

    Mol. Formula:
    C33H28ClN5O6

    M.W.:
    626.07

    Type:
    Unknown

    AlogP:
    6.25

    Polar Surface Area:
    124.91

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  4. ALA4476071

    Name:
    Solitumine A

    Mol. Formula:
    C20H27N3O4

    M.W.:
    373.45

    Type:
    Unknown

    AlogP:
    1.80

    Polar Surface Area:
    121.52

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  5. ALA4475856

    Name:
    4-[10-(4-carboxyphenyl)-15,20-bis(1-methylpyridin-
    Show More

    Mol. Formula:
    C46H34N6O4+2

    M.W.:
    734.82

    Type:
    Unknown

    AlogP:
    8.37

    Polar Surface Area:
    139.72

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  6. ALA4475751

    Name:
    N-((R)-6-Amino-1-(4-((((I)-2'-(isopentyloxy)-[1,1'
    Show More

    Mol. Formula:
    C39H44ClN5O4

    M.W.:
    682.27

    Type:
    Unknown

    AlogP:
    7.78

    Polar Surface Area:
    117.43

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  7. ALA4475057

    Name:
    methyl 4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl
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    Mol. Formula:
    C46H38I3N7O2

    M.W.:
    1101.57

    Type:
    Unknown

    AlogP:
    7.58

    Polar Surface Area:
    95.30

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  8. ALA4474865

    Name:
    Solitumidine C

    Mol. Formula:
    C20H27N3O4

    M.W.:
    373.45

    Type:
    Unknown

    AlogP:
    1.79

    Polar Surface Area:
    121.52

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA4536691

    Name:
    N-((R)-6-Amino-1-(4-((((S)-2'-(isopentyloxy)-[1,1'
    Show More

    Mol. Formula:
    C42H47BrClN5O3

    M.W.:
    785.23

    Type:
    Unknown

    AlogP:
    8.87

    Polar Surface Area:
    104.29

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  10. ALA4535755

    Name:
    Thiomuracin A

    Mol. Formula:
    C61H53N15O13S6

    M.W.:
    1396.59

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA4535232

    Name:
    3-[10-Methoxy-9-(2-oxo-propoxy)-5,8,13,13a-tetrahy
    Show More

    Mol. Formula:
    C29H27N5O7

    M.W.:
    557.56

    Type:
    Unknown

    AlogP:
    3.98

    Polar Surface Area:
    141.98

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  12. ALA4534871

    Name:
    Solitumine B

    Mol. Formula:
    C20H25N3O4

    M.W.:
    371.44

    Type:
    Unknown

    AlogP:
    1.80

    Polar Surface Area:
    125.28

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  13. ALA4534669

    Name:
    Noursamycin B

    Mol. Formula:
    C37H56ClN9O8

    M.W.:
    790.36

    Type:
    Unknown

    AlogP:
    -0.38

    Polar Surface Area:
    279.73

    HBA:
    9

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  14. ALA4534089

    Name:
    (3R,5S)-cis-3,4-Dihydrohamacanthin B

    Mol. Formula:
    C20H16Br2N4O

    M.W.:
    488.18

    Type:
    Unknown

    AlogP:
    4.68

    Polar Surface Area:
    72.71

    HBA:
    2

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  15. ALA4531152

    Name:
    (S)-N-((R)-6-Amino-1-(4-((((S)-2'-(isopentyloxy)-[
    Show More

    Mol. Formula:
    C39H47ClN6O4

    M.W.:
    699.30

    Type:
    Unknown

    AlogP:
    6.15

    Polar Surface Area:
    133.39

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  16. ALA4560362

    Name:
    3-[9-(2-Hydroxy-ethoxy)-10-methoxy-5,8,13,13a-tetr
    Show More

    Mol. Formula:
    C28H27N5O7

    M.W.:
    545.55

    Type:
    Unknown

    AlogP:
    3.39

    Polar Surface Area:
    145.14

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  17. ALA4560179

    Name:
    Cervinomycin A2

    Mol. Formula:
    C29H21NO9

    M.W.:
    527.49

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    132.58

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  18. ALA4559592

    Name:
    ethyl 2-(6-(ethylsulfonyl)-3-oxo-3,4-dihydro-2H-be
    Show More

    Mol. Formula:
    C14H17NO6S

    M.W.:
    327.36

    Type:
    Unknown

    AlogP:
    1.13

    Polar Surface Area:
    98.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  19. ALA4558995

    Name:
    3-[9-(2,4-Dichloro-benzyloxy)-10-methoxy-5,8,13,13
    Show More

    Mol. Formula:
    C33H27Cl2N5O6

    M.W.:
    660.51

    Type:
    Unknown

    AlogP:
    6.90

    Polar Surface Area:
    124.91

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  20. ALA4556340

    Name:
    ethyl 2-(3-oxo-6-phenyl-3,4-dihydro-2H-benzo[b][1,
    Show More

    Mol. Formula:
    C18H17NO4

    M.W.:
    311.34

    Type:
    Unknown

    AlogP:
    3.01

    Polar Surface Area:
    64.63

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
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