Type:
Small moleculeAlogP:
3.84Polar Surface Area:
15.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA3947302Name:
1-(3-methoxyphenethyl)-4-(2-ethoxyphenyl)piperazineMol. Formula:
C21H28N2O2M.W.:
340.47Type:
Small moleculeAlogP:
3.46Polar Surface Area:
24.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA3938038Name:
1-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-(2-isopropoxyphenyl)piperazineMol. Formula:
C22H28N2O3M.W.:
368.48Type:
Small moleculeAlogP:
3.57Polar Surface Area:
34.17HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA3930616Name:
1-(4-methoxyphenethyl)-4-(2-ethoxyphenyl)piperazineMol. Formula:
C21H28N2O2M.W.:
340.47Type:
Small moleculeAlogP:
3.46Polar Surface Area:
24.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA3917716Name:
1-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-(2-ethoxyphenyl)piperazineMol. Formula:
C21H26N2O3M.W.:
354.45Type:
Small moleculeAlogP:
3.18Polar Surface Area:
34.17HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.80DETAILS- ALA3902626
Name:
1-(3,4-dimethoxyphenethyl)-4-(2-ethoxyphenyl)piperazineMol. Formula:
C22H30N2O3M.W.:
370.49Type:
Small moleculeAlogP:
3.47Polar Surface Area:
34.17HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
4.93Polar Surface Area:
22.27HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
4.80Polar Surface Area:
22.27HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA3609358
Name:
3-(1-(3-(4-phenylpiperidin-1-yl)propyl)piperidin-4-yl)-1H-indoleMol. Formula:
C27H35N3M.W.:
401.60Type:
Small moleculeAlogP:
5.62Polar Surface Area:
22.27HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA3609357
Name:
3-(1-(3-(isoindolin-2-yl)propyl)piperidin-4-yl)-1H-indoleMol. Formula:
C24H29N3M.W.:
359.52Type:
Small moleculeAlogP:
4.75Polar Surface Area:
22.27HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA3609356
Name:
3-(1-(3-(indolin-1-yl)propyl)piperidin-4-yl)-1H-indoleMol. Formula:
C24H29N3M.W.:
359.52Type:
Small moleculeAlogP:
4.80Polar Surface Area:
22.27HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA3609355
Name:
3-(1-(3-(1H-pyrrol-1-yl)propyl)piperidin-4-yl)-1H-indoleMol. Formula:
C20H25N3M.W.:
307.44Type:
Small moleculeAlogP:
4.24Polar Surface Area:
23.96HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA2220978
Name:
1-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-(2-methoxyphenyl)piperazineMol. Formula:
C20H24N2O3M.W.:
340.42Type:
Small moleculeAlogP:
2.79Polar Surface Area:
34.17HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
2.80Polar Surface Area:
50.08HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
2.80Polar Surface Area:
50.08HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
2.30Polar Surface Area:
67.39HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.85DETAILS
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