ALA5266532Name:
1-(4-chlorobenzyl)-4-(2-((2,4-dimethylphenyl)thio)phenyl)piperazineMol. Formula:
C25H27ClN2SM.W.:
423.03Type:
---AlogP:
6.43Polar Surface Area:
6.48HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS
ALA5282171Name:
1-(cyclopentylmethyl)-4-(2-((2,4-dimethylphenyl)thio)phenyl)piperazineMol. Formula:
C24H32N2SM.W.:
380.60Type:
---AlogP:
5.77Polar Surface Area:
6.48HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS
ALA5280103Name:
2-(4-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazin-1-yl)acetic acidMol. Formula:
C20H24N2O2SM.W.:
356.49Type:
---AlogP:
3.66Polar Surface Area:
43.78HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS
ALA5277455Name:
2-(4-(2-((2,4-dimethylphenyl)thio)phenyl)piperazin-1-yl)ethanolMol. Formula:
C20H26N2OSM.W.:
342.51Type:
---AlogP:
3.57Polar Surface Area:
26.71HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.90DETAILS
ALA5277338Name:
1-(2-(2,4-dimethylphenylsulfanyl)phenyl)-4-(methylsulfonyl)piperazineMol. Formula:
C19H24N2O2S2M.W.:
376.55Type:
---AlogP:
3.54Polar Surface Area:
40.62HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS- ALA5277087
Name:
1-(2-(2,4-dimethylphenylsulfanyl)phenyl)-4-tosylpiperazineMol. Formula:
C25H28N2O2S2M.W.:
452.65Type:
---AlogP:
5.27Polar Surface Area:
40.62HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA5276877
Name:
1-(2-((2,4-dimethylphenyl)thio)phenyl)-4-(2-fluorobenzyl)piperazineMol. Formula:
C25H27FN2SM.W.:
406.57Type:
---AlogP:
5.92Polar Surface Area:
6.48HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
---AlogP:
6.80Polar Surface Area:
6.48HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA5287534
Name:
1-(2-((2,4-dimethylphenyl)thio)phenyl)-4-ethylpiperazineMol. Formula:
C20H26N2SM.W.:
326.51Type:
---AlogP:
4.60Polar Surface Area:
6.48HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA5287056
Name:
1-(4-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazin-1-yl)ethanoneMol. Formula:
C20H24N2OSM.W.:
340.49Type:
---AlogP:
4.12Polar Surface Area:
23.55HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
UnknownAlogP:
1.88Polar Surface Area:
92.24HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
UnknownAlogP:
1.84Polar Surface Area:
103.86HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
UnknownAlogP:
1.55Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.53DETAILS - ALA4636561
Name:
2-(3,4-difluorophenyl)-4,5,6,7-tetrafluoro-isoindoline-1,3-dioneMol. Formula:
C14H3F6NO2M.W.:
331.17Type:
UnknownAlogP:
3.32Polar Surface Area:
37.38HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
UnknownAlogP:
2.77Polar Surface Area:
37.38HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
-2.89Polar Surface Area:
308.12HBA:
19HBD:
11#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
-2.77Polar Surface Area:
269.43HBA:
16HBD:
10#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
1.19Polar Surface Area:
127.45HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.68Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
-1.39Polar Surface Area:
249.20HBA:
15HBD:
9#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.16DETAILS
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