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  1. ALA5272277

    Name:
    ((3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl)(4-phenoxyphenShow More

    Mol. Formula:
    C32H32ClNO4

    M.W.:
    530.06

    Type:
    ---

    AlogP:
    6.68

    Polar Surface Area:
    59.00

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  2. ALA5271767

    Name:
    Glyclauxin C

    Mol. Formula:
    C35H33NO14

    M.W.:
    691.64

    Type:
    ---

    AlogP:
    0.20

    Polar Surface Area:
    228.35

    HBA:
    15

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  3. ALA5273603

    Name:
    Duclauxin

    Mol. Formula:
    C29H22O11

    M.W.:
    546.48

    Type:
    ---

    AlogP:
    2.34

    Polar Surface Area:
    166.64

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  4. ALA5286827

    Name:
    Glyclauxin E

    Mol. Formula:
    C36H31NO14

    M.W.:
    701.64

    Type:
    ---

    AlogP:
    1.07

    Polar Surface Area:
    225.19

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  5. ALA5284533

    Name:
    Glyclauxin D

    Mol. Formula:
    C33H31NO13

    M.W.:
    649.61

    Type:
    ---

    AlogP:
    -0.37

    Polar Surface Area:
    222.28

    HBA:
    14

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  6. ALA5282777

    Name:
    Glyclauxin B

    Mol. Formula:
    C34H29NO13

    M.W.:
    659.60

    Type:
    ---

    AlogP:
    0.50

    Polar Surface Area:
    219.12

    HBA:
    14

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  7. ALA5289732

    Name:
    Glyclauxin A

    Mol. Formula:
    C32H27NO12

    M.W.:
    617.56

    Type:
    ---

    AlogP:
    -0.07

    Polar Surface Area:
    213.05

    HBA:
    13

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  8. ALA5219971

    Name:
    4-methyl-N-((2-(3,4,5-trimethoxyphenyl)pyridin-3-yl)methyl)aniline

    Mol. Formula:
    C22H24N2O3

    M.W.:
    364.45

    Type:
    ---

    AlogP:
    4.69

    Polar Surface Area:
    52.61

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  9. ALA5219943

    Name:
    4-methoxy-N-((2-(3,4,5-trimethoxyphenyl)pyridin-3-yl)methyl)aniline

    Mol. Formula:
    C22H24N2O4

    M.W.:
    380.44

    Type:
    ---

    AlogP:
    4.40

    Polar Surface Area:
    61.84

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  10. ALA5219715

    Name:
    N-((2-(3,5-dimethoxyphenyl)pyridin-3-yl)methyl)-4-methoxyaniline

    Mol. Formula:
    C21H22N2O3

    M.W.:
    350.42

    Type:
    ---

    AlogP:
    4.39

    Polar Surface Area:
    52.61

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  11. ALA5219713

    Name:
    2-(3,4-dimethoxyphenyl)-N-(4-methoxybenzyl)pyridin-3-amine

    Mol. Formula:
    C21H22N2O3

    M.W.:
    350.42

    Type:
    ---

    AlogP:
    4.39

    Polar Surface Area:
    52.61

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  12. ALA5219493

    Name:
    N-(4-chlorobenzyl)-2-(3,5-dimethoxyphenyl)pyridin-3-amine

    Mol. Formula:
    C20H19ClN2O2

    M.W.:
    354.84

    Type:
    ---

    AlogP:
    5.03

    Polar Surface Area:
    43.38

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  13. MS15

    Name:
    (2S,4R)-1-((S)-2-(11-(3-(3-(3-(4-(1-Aminocyclobutyl)phenyl)-2-(2-aminopyridShow More

    Mol. Formula:
    C64H79N11O5S

    M.W.:
    1114.47

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA5220918

    Name:
    (2R,4S)-1-((S)-2-(11-(3-(3-(3-(4-(1-Aminocyclobutyl)phenyl)-2-(2-aminopyridShow More

    Mol. Formula:
    C71H85N11O5S

    M.W.:
    1204.60

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA5220864

    Name:
    4-chloro-N-((2-(3,4,5-trimethoxyphenyl)pyridin-3-yl)methyl)aniline

    Mol. Formula:
    C21H21ClN2O3

    M.W.:
    384.86

    Type:
    ---

    AlogP:
    5.04

    Polar Surface Area:
    52.61

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. ALA5220854

    Name:
    2-(3,4-dimethoxyphenyl)-N-(4-methylbenzyl)pyridin-3-amine

    Mol. Formula:
    C21H22N2O2

    M.W.:
    334.42

    Type:
    ---

    AlogP:
    4.69

    Polar Surface Area:
    43.38

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  17. ALA5220783

    Name:
    2-(3,5-dimethoxyphenyl)-N-(4-methoxybenzyl)pyridin-3-amine

    Mol. Formula:
    C21H22N2O3

    M.W.:
    350.42

    Type:
    ---

    AlogP:
    4.39

    Polar Surface Area:
    52.61

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  18. ALA5220680

    Name:
    2-(3,5-dimethoxyphenyl)-N-(4-methylbenzyl)pyridin-3-amine

    Mol. Formula:
    C21H22N2O2

    M.W.:
    334.42

    Type:
    ---

    AlogP:
    4.69

    Polar Surface Area:
    43.38

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  19. ALA5220621

    Name:
    N-((2-(3,5-dimethoxyphenyl)pyridin-3-yl)methyl)-4-methylaniline

    Mol. Formula:
    C21H22N2O2

    M.W.:
    334.42

    Type:
    ---

    AlogP:
    4.69

    Polar Surface Area:
    43.38

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  20. ALA5220389

    Name:
    4-chloro-N-((2-(3,4-dimethoxyphenyl)pyridin-3-yl)methyl)aniline

    Mol. Formula:
    C20H19ClN2O2

    M.W.:
    354.84

    Type:
    ---

    AlogP:
    5.03

    Polar Surface Area:
    43.38

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
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