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  1. ALA5268603

    Name:
    1-(3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)-2Show More

    Mol. Formula:
    C24H29F3N2O3

    M.W.:
    450.50

    Type:
    ---

    AlogP:
    3.55

    Polar Surface Area:
    53.01

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  2. ALA5277977

    Name:
    (3S)-3-({2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamidoShow More

    Mol. Formula:
    C38H52N8O10

    M.W.:
    780.88

    Type:
    ---

    AlogP:
    -1.74

    Polar Surface Area:
    301.24

    HBA:
    10

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  3. ALA5205658

    Name:
    9-(4-((2-ethylbenzyl)oxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-Show More

    Mol. Formula:
    C32H36O4

    M.W.:
    484.64

    Type:
    ---

    AlogP:
    7.23

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  4. ALA5203813

    Name:
    (5S)-5-amino-N-[2-[[(1S)-1-benzyl-2-[[(1S)-1-(dimethylcarbamoyl)-3-methyl-bShow More

    Mol. Formula:
    C31H42FN5O5

    M.W.:
    583.71

    Type:
    ---

    AlogP:
    1.97

    Polar Surface Area:
    153.86

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  5. ALA5200037

    Name:
    3,3,6,6-tetramethyl-9-(5-((2-methylbenzyl)oxy)pyridin-2-yl)-3,4,5,6,7,9-hexShow More

    Mol. Formula:
    C30H33NO4

    M.W.:
    471.60

    Type:
    ---

    AlogP:
    6.37

    Polar Surface Area:
    65.49

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  6. ALA5198168

    Name:
    (5S)-5-amino-N-[2-[[(1S)-1-benzyl-2-[[(1S)-1-(ethylcarbamoyl)-3-methyl-butyShow More

    Mol. Formula:
    C31H42FN5O5

    M.W.:
    583.71

    Type:
    ---

    AlogP:
    2.02

    Polar Surface Area:
    162.65

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  7. ALA5195022

    Name:
    9-(4-((2-ethynylbenzyl)oxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydrShow More

    Mol. Formula:
    C32H32O4

    M.W.:
    480.60

    Type:
    ---

    AlogP:
    6.65

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  8. ALA5192115

    Name:
    (5S)-5-amino-N-[2-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-3-methyl-butyl]aminoShow More

    Mol. Formula:
    C29H38FN5O5

    M.W.:
    555.65

    Type:
    ---

    AlogP:
    1.37

    Polar Surface Area:
    176.64

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  9. ALA5191793

    Name:
    9-(3-fluoro-4-((2-methylbenzyl)oxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-Show More

    Mol. Formula:
    C31H33FO4

    M.W.:
    488.60

    Type:
    ---

    AlogP:
    7.11

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  10. ALA5191568

    Name:
    9-(4-((2-cyclopropylbenzyl)oxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexaShow More

    Mol. Formula:
    C33H36O4

    M.W.:
    496.65

    Type:
    ---

    AlogP:
    7.54

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  11. ALA5190988

    Name:
    9-(4-(cyclohexylmethoxy)phenyl)-3,6-dimethyl-3,4,5,6,7,9-hexahydro-1H-xanthShow More

    Mol. Formula:
    C28H34O4

    M.W.:
    434.58

    Type:
    ---

    AlogP:
    6.27

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  12. ALA5189216

    Name:
    9-(4-(cyclopentylmethoxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-Show More

    Mol. Formula:
    C29H36O4

    M.W.:
    448.60

    Type:
    ---

    AlogP:
    6.66

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  13. ALA5184328

    Name:
    9-(4-(cyclobutylmethoxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1Show More

    Mol. Formula:
    C28H34O4

    M.W.:
    434.58

    Type:
    ---

    AlogP:
    6.27

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  14. ALA5182141

    Name:
    9-(4-((2-isopropylbenzyl)oxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahyShow More

    Mol. Formula:
    C33H38O4

    M.W.:
    498.66

    Type:
    ---

    AlogP:
    7.79

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  15. ALA5177001

    Name:
    (5S)-5-amino-N-[2-[[(1S)-1-benzyl-2-oxo-2-[4-(N-propanoylanilino)-1-piperidShow More

    Mol. Formula:
    C37H44FN5O5

    M.W.:
    657.79

    Type:
    ---

    AlogP:
    3.78

    Polar Surface Area:
    145.07

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  16. ALA5173456

    Name:
    (5S)-5-amino-N-[2-[[(1S)-1-benzyl-2-[[(1S)-3-methyl-1-(methylcarbamoyl)butyShow More

    Mol. Formula:
    C30H40FN5O5

    M.W.:
    569.68

    Type:
    ---

    AlogP:
    1.63

    Polar Surface Area:
    162.65

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  17. ALA5172639

    Name:
    (5S)-5-amino-N-[2-[[(1S)-1-benzyl-2-[[(1S)-1-(cyclopropylcarbamoyl)-3-methyShow More

    Mol. Formula:
    C32H42FN5O5

    M.W.:
    595.72

    Type:
    ---

    AlogP:
    2.16

    Polar Surface Area:
    162.65

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  18. ALA5171947

    Name:
    3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a-octahydropyrido[3,4-b]acridin-4aShow More

    Mol. Formula:
    C23H24N2O

    M.W.:
    344.46

    Type:
    ---

    AlogP:
    3.93

    Polar Surface Area:
    36.36

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  19. ALA4865995

    Name:
    Speciociliatine N(4)-oxide

    Mol. Formula:
    C23H30N2O5

    M.W.:
    414.50

    Type:
    Unknown

    AlogP:
    3.84

    Polar Surface Area:
    83.61

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  20. ALA4864537

    Name:
    Mitragynine oxindole B

    Mol. Formula:
    C23H30N2O5

    M.W.:
    414.50

    Type:
    Unknown

    AlogP:
    2.71

    Polar Surface Area:
    77.10

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
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