Type:
Small moleculeAlogP:
2.96Polar Surface Area:
48.42HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILSType:
Small moleculeAlogP:
2.41Polar Surface Area:
52.08HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILSType:
Small moleculeAlogP:
3.44Polar Surface Area:
54.98HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILSType:
Small moleculeAlogP:
2.86Polar Surface Area:
43.10HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.80DETAILSType:
Small moleculeAlogP:
2.57Polar Surface Area:
29.96HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.72DETAILSType:
Small moleculeAlogP:
1.94Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILSType:
Small moleculeAlogP:
2.50Polar Surface Area:
39.19HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILSType:
Small moleculeAlogP:
1.89Polar Surface Area:
52.33HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILSType:
Small moleculeAlogP:
2.91Polar Surface Area:
35.26HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.78DETAILSType:
Small moleculeAlogP:
3.15Polar Surface Area:
39.44HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS- ALA375452
Name:
(5-bromo-pyridin-3-yl)methyl furan-2-carboxylateMol. Formula:
C11H8BrNO3M.W.:
282.09Type:
Small moleculeAlogP:
2.79Polar Surface Area:
52.33HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS Type:
Small moleculeAlogP:
2.66Polar Surface Area:
52.33HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILSType:
Small moleculeAlogP:
2.95Polar Surface Area:
39.19HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILSType:
Small moleculeAlogP:
2.55Polar Surface Area:
52.33HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILSType:
Small moleculeAlogP:
3.70Polar Surface Area:
52.33HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS- ALA222840
Name:
5-chloro-pyridin-3-yl furan-2-carboxylateCas Number:
353257-73-5Mol. Formula:
C10H6ClNO3M.W.:
223.62Type:
Small moleculeAlogP:
2.55Polar Surface Area:
52.33HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS Type:
Small moleculeAlogP:
2.28Polar Surface Area:
54.98HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.79DETAILSType:
Small moleculeAlogP:
2.67Polar Surface Area:
39.19HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS