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  1. ALA5201426

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

    Mol. Formula:
    C32H29NO8

    M.W.:
    555.58

    Type:
    ---

    AlogP:
    5.88

    Polar Surface Area:
    139.23

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  2. ALA5200090

    Name:
    3,6-di-O-acetyl-2-deoxy-D-glucose

    Mol. Formula:
    C10H16O7

    M.W.:
    248.23

    Type:
    ---

    AlogP:
    -1.05

    Polar Surface Area:
    102.29

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  3. ALA5208601

    Name:
    4-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-1-[[4-[1-(ditert-butylamino)oxyethyl]pheShow More

    Mol. Formula:
    C36H58N6O8

    M.W.:
    702.89

    Type:
    ---

    AlogP:
    3.52

    Polar Surface Area:
    186.48

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  4. ALA5195582

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

    Mol. Formula:
    C29H27NO7

    M.W.:
    501.54

    Type:
    ---

    AlogP:
    3.81

    Polar Surface Area:
    121.21

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  5. ALA5193363

    Name:
    5-(4-(((8-aminooctyl)(methyl)amino)methyl)phenyl)-8-fluoro-2,3,4,6-tetrahydShow More

    Mol. Formula:
    C27H35FN4O

    M.W.:
    450.60

    Type:
    ---

    AlogP:
    4.99

    Polar Surface Area:
    74.15

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  6. ALA5189414

    Name:
    4-[[(1S)-1-methyl-2-[[(1S)-1-methyl-2-[(2S)-2-[[(1S)-2-methyl-1-[[4-[1-[(2,Show More

    Mol. Formula:
    C37H58N6O8

    M.W.:
    714.90

    Type:
    ---

    AlogP:
    3.67

    Polar Surface Area:
    186.48

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  7. ALA5186421

    Name:
    4-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-1-[4-[1-(ditert-butylamino)oxyethyl]phenShow More

    Mol. Formula:
    C36H57N5O9

    M.W.:
    703.88

    Type:
    ---

    AlogP:
    3.49

    Polar Surface Area:
    183.68

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  8. ALA5181773

    Name:
    1-(5-carboxypentyl)-2-((E)-2-((E)-2-chloro-3-((E)-2-(1-(6-((4-(8-fluoro-6-oShow More

    Mol. Formula:
    C61H68ClFN5O4+

    M.W.:
    989.70

    Type:
    ---

    AlogP:
    13.34

    Polar Surface Area:
    108.75

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  9. ALA5181750

    Name:
    1-(5-carboxypentyl)-2-((E)-2-((E)-2-chloro-3-((E)-2-(1-(6-((8-((4-(8-fluoroShow More

    Mol. Formula:
    C69H83ClFN6O5+

    M.W.:
    1130.91

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA5180831

    Name:
    1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-Show More

    Mol. Formula:
    C32H29NO8

    M.W.:
    555.58

    Type:
    ---

    AlogP:
    5.88

    Polar Surface Area:
    139.23

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  11. ALA5176707

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

    Mol. Formula:
    C24H27NO7

    M.W.:
    441.48

    Type:
    ---

    AlogP:
    3.07

    Polar Surface Area:
    121.21

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  12. ALA5170880

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

    Mol. Formula:
    C27H26BrNO7

    M.W.:
    556.41

    Type:
    ---

    AlogP:
    4.53

    Polar Surface Area:
    130.00

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  13. ALA5169862

    Name:
    4-[[(1S)-1-methyl-2-[[(1S)-1-methyl-2-[(2S)-2-[[(1S)-2-methyl-1-[4-[1-[(2,2Show More

    Mol. Formula:
    C37H57N5O9

    M.W.:
    715.89

    Type:
    ---

    AlogP:
    3.63

    Polar Surface Area:
    183.68

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  14. ALA5094564

    Name:
    N-(3,4-dimethoxyphenyl)-2-((2,3-dimethylphenyl)amino)benzamide

    Mol. Formula:
    C23H24N2O3

    M.W.:
    376.46

    Type:
    Unknown

    AlogP:
    5.32

    Polar Surface Area:
    59.59

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  15. ALA5094553

    Name:
    2-((3-(trifluoromethyl)phenyl)amino)-N-(3,4,5-trimethoxyphenyl)benzamide

    Mol. Formula:
    C23H21F3N2O4

    M.W.:
    446.43

    Type:
    Unknown

    AlogP:
    5.73

    Polar Surface Area:
    68.82

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  16. ALA5094539

    Name:
    2-(benzylamino)-N-(4-methoxyphenyl)benzamide

    Mol. Formula:
    C21H20N2O2

    M.W.:
    332.40

    Type:
    Unknown

    AlogP:
    4.56

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  17. ALA5093769

    Name:
    N-(4-methoxybenzyl)-2-(phenylamino)benzamide

    Mol. Formula:
    C21H20N2O2

    M.W.:
    332.40

    Type:
    Unknown

    AlogP:
    4.37

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  18. ALA5093530

    Name:
    N-(2-(1H-indol-3-yl)ethyl)-7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinolineShow More

    Mol. Formula:
    C22H20N4O3

    M.W.:
    388.43

    Type:
    Unknown

    AlogP:
    3.04

    Polar Surface Area:
    102.26

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  19. ALA5092573

    Name:
    (S)-3-(2-(benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)-5-bromo-3-hydroxy-1-(4-methShow More

    Mol. Formula:
    C25H20BrNO5

    M.W.:
    494.34

    Type:
    Unknown

    AlogP:
    4.49

    Polar Surface Area:
    76.07

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  20. ALA5092199

    Name:
    N-(benzo[d][1,3]dioxo1-5-yl)-2((3-chloro-2-methylphenyl)amino)benzamide

    Mol. Formula:
    C21H17ClN2O3

    M.W.:
    380.83

    Type:
    Unknown

    AlogP:
    5.37

    Polar Surface Area:
    59.59

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
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