Type:
Small moleculeAlogP:
1.60Polar Surface Area:
44.29HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
Small moleculeAlogP:
3.28Polar Surface Area:
23.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
Small moleculeAlogP:
5.98Polar Surface Area:
32.78HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
Small moleculeAlogP:
4.42Polar Surface Area:
32.78HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
Small moleculeAlogP:
3.64Polar Surface Area:
32.78HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.43DETAILS- ALA2270086
Name:
1-S-(N,N-Diethyldithiocarbamoyl)-DL-glycerolCas Number:
90886-62-7Mol. Formula:
C8H17NO2S2M.W.:
223.36Type:
Small moleculeAlogP:
0.70Polar Surface Area:
43.70HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
1.51Polar Surface Area:
76.40HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
3.31Polar Surface Area:
54.40HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
1.68Polar Surface Area:
49.49HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.72DETAILS
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