Type:
Small moleculeAlogP:
1.83Polar Surface Area:
16.13HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.62DETAILS- 5-Ethynyl Nicotine
Name:
3-Ethynyl-5-((S)-1-methyl-pyrrolidin-2-yl)-pyridineMol. Formula:
C12H14N2M.W.:
186.26Type:
Small moleculeAlogP:
1.83Polar Surface Area:
16.13HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.62DETAILS Type:
Small moleculeAlogP:
2.41Polar Surface Area:
16.13HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.71DETAILSType:
Small moleculeAlogP:
3.19Polar Surface Area:
16.13HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILSType:
Small moleculeAlogP:
3.58Polar Surface Area:
16.13HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILSType:
Small moleculeAlogP:
2.80Polar Surface Area:
16.13HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.75DETAILSType:
Small moleculeAlogP:
2.41Polar Surface Area:
16.13HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.71DETAILS