ALA5277896Name:
4-[7-(1-adamantyl)-6-hydroxy-2-naphthyl]benzoic acidMol. Formula:
C27H26O3M.W.:
398.50Type:
---AlogP:
6.38Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
UnknownAlogP:
1.29Polar Surface Area:
64.35HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
UnknownAlogP:
1.21Polar Surface Area:
51.80HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.61DETAILS
TLX agonist 1Name:
(4-benzhydrylpiperazin-1-yl)(1,5-dimethyl-1H-pyrazol-3-yl)methanoneMol. Formula:
C23H26N4OM.W.:
374.49Type:
UnknownAlogP:
3.28Polar Surface Area:
41.37HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
UnknownAlogP:
6.83Polar Surface Area:
46.92HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS- ALA5089374
Name:
1-(naphthalen-1-yloxy)-3-(piperidin-1-yl)propan-2-olMol. Formula:
C18H23NO2M.W.:
285.39Type:
UnknownAlogP:
3.07Polar Surface Area:
32.70HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.92DETAILS -
Type:
UnknownAlogP:
4.70Polar Surface Area:
82.17HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
3.00Polar Surface Area:
38.69HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
UnknownAlogP:
3.76Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA5083628
Name:
N-isopropyl-2-methoxy-3-(naphthalen-1-yloxy)propan-1-amineMol. Formula:
C17H23NO2M.W.:
273.38Type:
UnknownAlogP:
3.23Polar Surface Area:
30.49HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
UnknownAlogP:
5.42Polar Surface Area:
62.71HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS - 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Name:
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)anilineMol. Formula:
C11H10F3N3M.W.:
241.22Type:
UnknownAlogP:
2.78Polar Surface Area:
43.84HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.78DETAILS -
Type:
UnknownAlogP:
5.37Polar Surface Area:
56.15HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
UnknownAlogP:
2.77Polar Surface Area:
51.22HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
UnknownAlogP:
2.29Polar Surface Area:
37.91HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILS - ALA5077720
Name:
N-(3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)acetamideMol. Formula:
C13H12F3N3OM.W.:
283.25Type:
UnknownAlogP:
3.16Polar Surface Area:
46.92HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA5074401
Name:
1-(isopropylamino)-3-(quinolin-4-yloxy)propan-2-olMol. Formula:
C15H20N2O2M.W.:
260.34Type:
UnknownAlogP:
1.97Polar Surface Area:
54.38HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
UnknownAlogP:
4.26Polar Surface Area:
73.63HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA5070124
Name:
1-(isopropyl(methyl)amino)-3-(naphthalen-1-yloxy)propan-2-olMol. Formula:
C17H23NO2M.W.:
273.38Type:
UnknownAlogP:
2.92Polar Surface Area:
32.70HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.88DETAILS - 3-Amino-1，2，3，4-tetrahydrocarbazole
Name:
2,3,4,9-tetrahydro-1H-carbazol-3-amineMol. Formula:
C12H14N2M.W.:
186.26Type:
Small moleculeAlogP:
1.98Polar Surface Area:
41.81HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.65DETAILS
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