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  1. ALA5270589

    Name:
    (7S,10S,13S,16S,27R)-7-amino-16-carboxy-27-(4-(((2,4-diaminopteridin-6-yl)mShow More

    Mol. Formula:
    C48H71N17O16

    M.W.:
    1142.20

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA5269994

    Name:
    ethyl (1'S,2'R,3S,7a'R)-5''-(4-methoxybenzylidene)-1'-(4-methoxyphenyl)-2,4Show More

    Mol. Formula:
    C36H37N3O6

    M.W.:
    607.71

    Type:
    ---

    AlogP:
    5.22

    Polar Surface Area:
    97.41

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  3. ALA5282590

    Name:
    ethyl (1'R,2'R,3S,7a'R)-5''-(2,4-difluorobenzylidene)-1'-(2,4-difluorophenyShow More

    Mol. Formula:
    C34H29F4N3O4

    M.W.:
    619.62

    Type:
    ---

    AlogP:
    5.76

    Polar Surface Area:
    78.95

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  4. ALA5277862

    Name:
    4-amino-5-(4-chlorophenyl)-7-(2-oxo-2H-chromen-3-yl)-1H-pyrano[2,3-d]pyrimiShow More

    Mol. Formula:
    C22H14ClN3O4

    M.W.:
    419.82

    Type:
    ---

    AlogP:
    3.68

    Polar Surface Area:
    111.21

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA5275782

    Name:
    ethyl (3S,3'R,4'S)-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1'-methyl-Show More

    Mol. Formula:
    C32H29Cl2N3O4

    M.W.:
    590.51

    Type:
    ---

    AlogP:
    5.98

    Polar Surface Area:
    78.95

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  6. ALA5284628

    Name:
    ethyl (1'S,2'R,3S,7a'R)-5''-(4-nitrobenzylidene)-1'-(4-nitrophenyl)-2,4''-dShow More

    Mol. Formula:
    C34H31N5O8

    M.W.:
    637.65

    Type:
    ---

    AlogP:
    5.02

    Polar Surface Area:
    165.23

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  7. ALA5284175

    Name:
    (1'R,2'R,3S)-2''-thioxo-2'-(p-tolyl)-5',6',7',7a'-tetrahydro-2'H-dispiro[inShow More

    Mol. Formula:
    C23H21N3O2S2

    M.W.:
    435.57

    Type:
    ---

    AlogP:
    3.29

    Polar Surface Area:
    61.44

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  8. ALA5282945

    Name:
    5-(4-chlorophenyl)-2-methyl-7-(2-oxo-2H-chromen-3-yl)-3H-pyrano[2,3-d]pyrimShow More

    Mol. Formula:
    C23H15ClN2O4

    M.W.:
    418.84

    Type:
    ---

    AlogP:
    4.40

    Polar Surface Area:
    85.19

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA5289650

    Name:
    (1'R,2'R,3S)-2'-phenyl-2''-thioxo-5',6',7',7a'-tetrahydro-2'H-dispiro[indolShow More

    Mol. Formula:
    C22H19N3O2S2

    M.W.:
    421.55

    Type:
    ---

    AlogP:
    2.98

    Polar Surface Area:
    61.44

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  10. ALA5206973

    Name:
    3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(6-(3"-cShow More

    Mol. Formula:
    C50H69N3O13

    M.W.:
    920.11

    Type:
    ---

    AlogP:
    5.76

    Polar Surface Area:
    200.44

    HBA:
    14

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  11. ALA5205928

    Name:
    3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(3-(4-(3Show More

    Mol. Formula:
    C51H74FN5O13

    M.W.:
    984.17

    Type:
    ---

    AlogP:
    4.89

    Polar Surface Area:
    206.92

    HBA:
    16

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  12. ALA5201358

    Name:
    3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(8-(3"-cShow More

    Mol. Formula:
    C52H73N3O13

    M.W.:
    948.16

    Type:
    ---

    AlogP:
    6.54

    Polar Surface Area:
    200.44

    HBA:
    14

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  13. ALA5201293

    Name:
    3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(4-(3"-cShow More

    Mol. Formula:
    C48H65N3O13

    M.W.:
    892.06

    Type:
    ---

    AlogP:
    4.98

    Polar Surface Area:
    200.44

    HBA:
    14

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  14. ALA5199201

    Name:
    3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(4-(3"-cShow More

    Mol. Formula:
    C48H69N3O13

    M.W.:
    896.09

    Type:
    ---

    AlogP:
    5.56

    Polar Surface Area:
    200.44

    HBA:
    14

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  15. ALA5198989

    Name:
    3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(4-(3"-cShow More

    Mol. Formula:
    C48H66N4O12

    M.W.:
    891.07

    Type:
    ---

    AlogP:
    4.38

    Polar Surface Area:
    206.23

    HBA:
    14

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  16. ALA5197797

    Name:
    3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(5-(3"-cShow More

    Mol. Formula:
    C49H68N4O12

    M.W.:
    905.10

    Type:
    ---

    AlogP:
    4.77

    Polar Surface Area:
    206.23

    HBA:
    14

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  17. ALA5197221

    Name:
    3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(5-(3"-cShow More

    Mol. Formula:
    C49H67N3O13

    M.W.:
    906.08

    Type:
    ---

    AlogP:
    5.37

    Polar Surface Area:
    200.44

    HBA:
    14

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  18. ALA5197059

    Name:
    3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(4-(3"-cShow More

    Mol. Formula:
    C48H65N3O13

    M.W.:
    892.06

    Type:
    ---

    AlogP:
    4.98

    Polar Surface Area:
    200.44

    HBA:
    14

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  19. ALA5196658

    Name:
    3-O-descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(3-(4-(3Show More

    Mol. Formula:
    C51H75FN6O12

    M.W.:
    983.19

    Type:
    ---

    AlogP:
    4.29

    Polar Surface Area:
    212.71

    HBA:
    16

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  20. ALA5196429

    Name:
    7-(4-amino-3,3-dimethylpiperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxShow More

    Mol. Formula:
    C21H27ClFN3O3

    M.W.:
    423.92

    Type:
    ---

    AlogP:
    3.05

    Polar Surface Area:
    88.56

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
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