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Items 1-20 of 2,431,025

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  1. ALA5316228

    Name:

    Mol. Formula:
    C16H12ClNOS

    M.W.:
    301.80

    Type:
    ---

    AlogP:
    5.44

    Polar Surface Area:
    35.25

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  2. ALA5316227

    Name:
    PASIREOTIDE (DITRIFLUOROACETATE)

    Mol. Formula:
    C62H68F6N10O13

    M.W.:
    1275.27

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA5316226

    Name:
    (R)-N-(4-(2-methylmorpholino)pyridin-3-yl)-2-pheny
    Show More

    Mol. Formula:
    C23H22N6O2

    M.W.:
    414.47

    Type:
    ---

    AlogP:
    3.27

    Polar Surface Area:
    84.65

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  4. ALA5316225

    Name:
    N-(4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)p
    Show More

    Mol. Formula:
    C37H50O16

    M.W.:
    750.79

    Type:
    ---

    AlogP:
    1.27

    Polar Surface Area:
    243.52

    HBA:
    16

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  5. ALA5316224

    Name:
    6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholinoethyl
    Show More

    Mol. Formula:
    C22H26N4O3

    M.W.:
    394.48

    Type:
    ---

    AlogP:
    3.06

    Polar Surface Area:
    68.74

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  6. ALA5316223

    Name:
    5-(2-hydroxybenzylidene)-1,3-dimethylpyrimidine-2,
    Show More

    Mol. Formula:
    C13H12N2O4

    M.W.:
    260.25

    Type:
    ---

    AlogP:
    0.83

    Polar Surface Area:
    77.92

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  7. ALA5316222

    Name:
    N-(4-(tert-butyl)phenyl)-1-(2,5-dimethoxyphenyl)-5
    Show More

    Mol. Formula:
    C21H26N4O4S

    M.W.:
    430.53

    Type:
    ---

    AlogP:
    3.69

    Polar Surface Area:
    95.34

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  8. ALA5316221

    Name:
    (3R,6'S,7'R)-5,6-dibromo-7'-(3-bromophenyl)-6'-((E
    Show More

    Mol. Formula:
    C28H20Br4N2O2S

    M.W.:
    768.16

    Type:
    ---

    AlogP:
    7.96

    Polar Surface Area:
    49.41

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  9. ALA5316220

    Name:
    phenyl 6-chloro-1-(4-methoxyphenyl)-3,4-dihydro-1H
    Show More

    Mol. Formula:
    C25H21ClN2O3

    M.W.:
    432.91

    Type:
    ---

    AlogP:
    5.98

    Polar Surface Area:
    54.56

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  10. ALA5316219

    Name:
    QUINAGOLIDE (HYDROCHLORIDE)

    Mol. Formula:
    C20H34ClN3O3S

    M.W.:
    432.03

    Type:
    ---

    AlogP:
    2.14

    Polar Surface Area:
    72.88

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  11. ALA5316218

    Name:
    DDD00099038

    Mol. Formula:
    C9H16O2

    M.W.:
    156.22

    Type:
    ---

    AlogP:
    2.00

    Polar Surface Area:
    37.30

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.63

    DETAILS
  12. ALA5316217

    Name:
    DDD00099287

    Mol. Formula:
    C12H22O3

    M.W.:
    214.31

    Type:
    ---

    AlogP:
    1.32

    Polar Surface Area:
    49.69

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.74

    DETAILS
  13. ALA5316216

    Name:
    5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca
    Show More

    Mol. Formula:
    C13H14ClN3

    M.W.:
    247.73

    Type:
    ---

    AlogP:
    1.80

    Polar Surface Area:
    37.81

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.72

    DETAILS
  14. ALA5316215

    Name:
    MMV1802063

    Mol. Formula:
    C35H42ClN5O8

    M.W.:
    696.20

    Type:
    ---

    AlogP:
    5.60

    Polar Surface Area:
    98.94

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  15. ALA5316214

    Name:
    DDD00099255

    Mol. Formula:
    C9H18N2O2

    M.W.:
    186.25

    Type:
    ---

    AlogP:
    0.28

    Polar Surface Area:
    58.20

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  16. ALA5316213

    Name:
    MRT67307 HCl

    Mol. Formula:
    C26H38Cl2N6O2

    M.W.:
    537.54

    Type:
    ---

    AlogP:
    3.65

    Polar Surface Area:
    91.41

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  17. ALA5316212

    Name:
    Ischemin sodium salt

    Mol. Formula:
    C15H16N3NaO4S

    M.W.:
    357.37

    Type:
    ---

    AlogP:
    3.56

    Polar Surface Area:
    125.34

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  18. ALA5316211

    Name:
    DDD00097253

    Mol. Formula:
    C16H18ClN3O3S

    M.W.:
    367.86

    Type:
    ---

    AlogP:
    1.14

    Polar Surface Area:
    78.51

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  19. ALA5316210

    Name:
    DDD00097239

    Mol. Formula:
    C16H25N3O3S

    M.W.:
    339.46

    Type:
    ---

    AlogP:
    0.96

    Polar Surface Area:
    69.72

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  20. ALA5316209

    Name:
    SPARTEINE HYDROIODIDE

    Mol. Formula:
    C15H27IN2

    M.W.:
    362.30

    Type:
    ---

    AlogP:
    2.35

    Polar Surface Area:
    6.48

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.63

    DETAILS
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