Type:
---AlogP:
5.87Polar Surface Area:
86.45HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS
Type:
---AlogP:
4.86Polar Surface Area:
83.21HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
---AlogP:
4.73Polar Surface Area:
73.98HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
UnknownAlogP:
2.35Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
Small moleculeAlogP:
1.80Polar Surface Area:
76.21HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS-
Type:
Small moleculeAlogP:
1.41Polar Surface Area:
63.32HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
1.26Polar Surface Area:
63.32HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA2074983
Name:
S-BenzothiazoylcycteineCas Number:
399-82-6Mol. Formula:
C10H10N2O2S2M.W.:
254.34Type:
Small moleculeAlogP:
1.80Polar Surface Area:
76.21HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
-0.25Polar Surface Area:
149.51HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
0.70Polar Surface Area:
108.74HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA2074592
Name:
4,4'-diisothiocyanatostikbene-2,2'-disulfonic acidMol. Formula:
C16H12N2O6S4M.W.:
456.55Type:
Small moleculeAlogP:
3.45Polar Surface Area:
133.13HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
2.09Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
3.47Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
-0.70Polar Surface Area:
94.83HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS
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