Type:
Small moleculeAlogP:
3.63Polar Surface Area:
197.40HBA:
8HBD:
7#RO5 Violations:
2#Rotatable Bonds:
28Passes Ro3:
NQED Weighted:
0.05DETAILS
Type:
Small moleculeAlogP:
3.84Polar Surface Area:
194.24HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
28Passes Ro3:
NQED Weighted:
0.04DETAILS
Type:
Small moleculeAlogP:
4.41Polar Surface Area:
200.31HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
29Passes Ro3:
NQED Weighted:
0.03DETAILS
ALA487656Name:
2-(4-hydroxyphenyl)-2,3-dihydrobenzo[b][1,4]oxathiin-6-olMol. Formula:
C14H12O3SM.W.:
260.31Type:
Small moleculeAlogP:
3.32Polar Surface Area:
49.69HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS
ALA386034Name:
13-(4-trifluoromethoxy benzyl) berberine chlorideMol. Formula:
C28H23ClF3NO5M.W.:
545.94Type:
Small moleculeAlogP:
5.59Polar Surface Area:
50.03HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS
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