- ALA3277224
Name:
N,N-Dimethylamino-3-(2,5-dimethoxyphenyl)propaneMol. Formula:
C13H21NO2M.W.:
223.32Type:
Small moleculeAlogP:
2.20Polar Surface Area:
21.70HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2367824
Name:
(+/-)2-(3,5-Dimethoxy-phenyl)-1-methyl-ethylamineMol. Formula:
C11H17NO2M.W.:
195.26Type:
Small moleculeAlogP:
1.59Polar Surface Area:
44.48HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS Type:
Small moleculeAlogP:
1.22Polar Surface Area:
43.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.64DETAILSType:
Small moleculeAlogP:
1.58Polar Surface Area:
35.25HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.74DETAILS- ALA1788278
Name:
(-)2-(2,5-Dimethoxy-4-nitro-phenyl)-1-methyl-ethylamineMol. Formula:
C11H16N2O4M.W.:
240.26Type:
Small moleculeAlogP:
1.50Polar Surface Area:
87.62HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA1744019
Name:
6,7-Dichloro-2-piperazin-1-yl-quinoxaline: HClMol. Formula:
C12H13Cl3N4M.W.:
319.62Type:
Small moleculeAlogP:
2.35Polar Surface Area:
41.05HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.87DETAILS Type:
Small moleculeAlogP:
1.69Polar Surface Area:
41.05HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILSType:
Small moleculeAlogP:
0.95Polar Surface Area:
84.19HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS- ALA1743966
Name:
3-Phenylsulfanyl-2-piperazin-1-yl-6-trifluoromethyl-quinoxaline: HClMol. Formula:
C19H18ClF3N4SM.W.:
426.90Type:
Small moleculeAlogP:
4.21Polar Surface Area:
41.05HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS Type:
Small moleculeAlogP:
1.69Polar Surface Area:
41.05HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS- ALA1743929
Name:
6-Chloro-3-phenylsulfanyl-2-piperazin-1-yl-quinoxaline: HClMol. Formula:
C18H18Cl2N4SM.W.:
393.34Type:
Small moleculeAlogP:
3.84Polar Surface Area:
41.05HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS Type:
Small moleculeAlogP:
1.05Polar Surface Area:
50.28HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS- ALA1743614
Name:
1-(2-Dimethylamino-ethyl)-3-piperazin-1-yl-1H-quinoxalin-2-one: HClMol. Formula:
C16H24ClN5OM.W.:
337.86Type:
Small moleculeAlogP:
0.37Polar Surface Area:
53.40HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA1204137
Name:
(8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine hydrochlorideMol. Formula:
C17H28ClNOM.W.:
297.87Type:
Small moleculeAlogP:
3.67Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA1204120
Name:
7-(Butyl-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-1-ol hydrobromideMol. Formula:
C17H28BrNOM.W.:
342.32Type:
Small moleculeAlogP:
3.76Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA1202249
Name:
7-Dibutylamino-5,6,7,8-tetrahydro-naphthalen-1-ol hydrobromideMol. Formula:
C18H30BrNOM.W.:
356.35Type:
Small moleculeAlogP:
4.15Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA1202248
Name:
7-Piperidin-1-yl-5,6,7,8-tetrahydro-naphthalen-1-ol hydrobromideMol. Formula:
C15H22BrNOM.W.:
312.25Type:
Small moleculeAlogP:
2.74Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.80DETAILS - ALA1202247
Name:
7-(Benzyl-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-1-ol hydrobromideMol. Formula:
C20H26BrNOM.W.:
376.34Type:
Small moleculeAlogP:
4.16Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA1202246
Name:
7-(Ethyl-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-1-ol hydrobromideMol. Formula:
C15H24BrNOM.W.:
314.27Type:
Small moleculeAlogP:
2.98Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA1202244
Name:
7-Methylamino-5,6,7,8-tetrahydro-naphthalen-1-ol hydrobromideMol. Formula:
C11H16BrNOM.W.:
258.16Type:
Small moleculeAlogP:
1.47Polar Surface Area:
32.26HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.68DETAILS