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  1. ALA5271651

    Name:
    (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R)-3-(hexadecyloxy)-2-methoxyShow More

    Mol. Formula:
    C26H54N2O6

    M.W.:
    490.73

    Type:
    ---

    AlogP:
    3.25

    Polar Surface Area:
    129.42

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  2. ALA5270300

    Name:
    Sclerin

    Mol. Formula:
    C41H64N10O12

    M.W.:
    889.02

    Type:
    ---

    AlogP:
    -4.11

    Polar Surface Area:
    339.82

    HBA:
    13

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  3. ALA5269284

    Name:
    N-(((2R,3S,4R,5R,6S)-5-amino-6-((R)-3-(hexadecyloxy)-2-methoxypropoxy)-3,4-Show More

    Mol. Formula:
    C40H71Cl2N3O7

    M.W.:
    776.93

    Type:
    ---

    AlogP:
    6.71

    Polar Surface Area:
    135.74

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    32

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  4. ALA5281435

    Name:
    N-((2S,3R,4R,5S,6R)-6-(aminomethyl)-2-((R)-3-(hexadecyloxy)-2-methoxypropoxShow More

    Mol. Formula:
    C40H71Cl2N3O7

    M.W.:
    776.93

    Type:
    ---

    AlogP:
    6.71

    Polar Surface Area:
    135.74

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    32

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  5. ALA5279287

    Name:

    Mol. Formula:
    C22H27N3O5

    M.W.:
    413.47

    Type:
    ---

    AlogP:
    2.04

    Polar Surface Area:
    95.26

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  6. ALA5276493

    Name:
    (2R,3R,4R,5R,6S)-2-(((S)-1-amino-3-(hexadecyloxy)propan-2-yl)oxy)-6-methyltShow More

    Mol. Formula:
    C25H51NO6

    M.W.:
    461.68

    Type:
    ---

    AlogP:
    3.66

    Polar Surface Area:
    114.40

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  7. ALA5275238

    Name:
    N-((6S,7R,9R,14aS,15R)-(7-Cyano-11-hydroxy-2-methoxy-3,12,16-trimethyl-1,4,Show More

    Mol. Formula:
    C28H28N4O8

    M.W.:
    548.55

    Type:
    ---

    AlogP:
    -0.24

    Polar Surface Area:
    174.18

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  8. ALA5274583

    Name:
    (E)-4-(1,3,2-dioxaborinan-2-yl)benzyl ((5-methyl-2-styryl-1,3-dioxan-5-yl)mShow More

    Mol. Formula:
    C25H29BO7

    M.W.:
    452.31

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA5273157

    Name:
    (6aS,7R,13S,14R,16R)-(14-Cyano-9-methoxy-4,10,17-trimethyl-8,11-dioxo-16-((Show More

    Mol. Formula:
    C31H32N4O9

    M.W.:
    604.62

    Type:
    ---

    AlogP:
    0.97

    Polar Surface Area:
    164.57

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  10. ALA5286955

    Name:
    N-(2-(4-(benzo[d]thiazol-2-yl)piperazin-1-yl)-2-oxoethyl)-4-chlorobenzenesuShow More

    Mol. Formula:
    C19H19ClN4O3S2

    M.W.:
    450.97

    Type:
    ---

    AlogP:
    2.58

    Polar Surface Area:
    82.61

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  11. ALA5285876

    Name:
    (2R,3S,4R,5R,6S)-2-((R)-3-(hexadecyloxy)-2-methoxypropoxy)-6-(hydroxymethylShow More

    Mol. Formula:
    C26H52O8

    M.W.:
    492.69

    Type:
    ---

    AlogP:
    3.32

    Polar Surface Area:
    117.84

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  12. ALA5285549

    Name:
    N-((6aS,7R,13S,14R,16R)-(14-Cyano-5-hydroxy-9-methoxy-4,10,17-trimethyl-8,1Show More

    Mol. Formula:
    C29H30N4O8

    M.W.:
    562.58

    Type:
    ---

    AlogP:
    0.75

    Polar Surface Area:
    158.50

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  13. ALA5290699

    Name:
    Cyclosenegalin A

    Mol. Formula:
    C28H47N7O9

    M.W.:
    625.72

    Type:
    ---

    AlogP:
    -3.37

    Polar Surface Area:
    235.37

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  14. ALA5290094

    Name:
    (E)-2-(((2-((2-(3-(4-((3-chlorophenyl)amino)quinazolin-7-yl)triaz-2-en-1-ylShow More

    Mol. Formula:
    C39H38ClN9O7

    M.W.:
    780.24

    Type:
    ---

    AlogP:
    7.30

    Polar Surface Area:
    193.90

    HBA:
    13

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  15. ALA5289736

    Name:
    [(4R,6R,11aS)-4-cyano-8-methoxy-2,9-dimethyl-7,10-dioxo-1,3,4,6,11,11a-hexaShow More

    Mol. Formula:
    C22H27N3O5

    M.W.:
    413.47

    Type:
    ---

    AlogP:
    1.15

    Polar Surface Area:
    99.94

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  16. ALA5289302

    Name:
    (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(4-((((5R,5aS,8aS,9S)-8-oxo-9-(3,4,5-tShow More

    Mol. Formula:
    C39H43N3O17

    M.W.:
    825.78

    Type:
    ---

    AlogP:
    2.48

    Polar Surface Area:
    226.82

    HBA:
    20

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  17. ALA5289179

    Name:
    (6-((4-(benzo[d]thiazol-5-yl)-5-fluoropyrimidin-2-yl)amino)pyridin-3-yl)(piShow More

    Mol. Formula:
    C21H19ClFN7OS

    M.W.:
    471.95

    Type:
    ---

    AlogP:
    3.08

    Polar Surface Area:
    95.93

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  18. ALA5196279

    Name:
    3-((4-Ethoxyphenyl)sulfonamido)-4-methyl-N-(pyridin-3-ylmethyl)benzamide

    Mol. Formula:
    C22H23N3O4S

    M.W.:
    425.51

    Type:
    ---

    AlogP:
    3.52

    Polar Surface Area:
    97.39

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  19. ALA5209303

    Name:
    3-(Benzo[d][1,3]dioxole-5-sulfonamido)-4-methyl-N-(pyridin-3-ylmethyl)benzaShow More

    Mol. Formula:
    C21H19N3O5S

    M.W.:
    425.47

    Type:
    ---

    AlogP:
    2.85

    Polar Surface Area:
    106.62

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  20. ALA5209134

    Name:
    (S)-1-(5,8-dimethoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-eShow More

    Mol. Formula:
    C23H28O7

    M.W.:
    416.47

    Type:
    ---

    AlogP:
    3.44

    Polar Surface Area:
    99.13

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
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