Type:
UnknownAlogP:
3.94Polar Surface Area:
87.49HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
UnknownAlogP:
3.78Polar Surface Area:
96.72HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
UnknownAlogP:
4.11Polar Surface Area:
59.42HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
UnknownAlogP:
4.99Polar Surface Area:
113.54HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
UnknownAlogP:
4.02Polar Surface Area:
70.42HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS-
Type:
UnknownAlogP:
4.10Polar Surface Area:
76.49HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
UnknownAlogP:
4.32Polar Surface Area:
59.42HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
UnknownAlogP:
4.87Polar Surface Area:
22.12HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
UnknownAlogP:
4.34Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
2.75Polar Surface Area:
117.94HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
4.23Polar Surface Area:
42.35HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
-0.39Polar Surface Area:
199.36HBA:
8HBD:
6#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
-0.83Polar Surface Area:
129.72HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
0.27Polar Surface Area:
199.36HBA:
8HBD:
6#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
0.38Polar Surface Area:
199.36HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
-1.26Polar Surface Area:
137.92HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA1160346
Name:
S-(N-Methyl-N-hydroxycarbomyl)ethylglutathioneMol. Formula:
C7H12N2O6SM.W.:
252.25Type:
Small moleculeAlogP:
-0.73Polar Surface Area:
141.16HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA1160345
Name:
1,2-Dicarboxy-3-propionylsulfanyl-propyl-ammoniumMol. Formula:
C8H13NO5SM.W.:
235.26Type:
Small moleculeAlogP:
-0.23Polar Surface Area:
117.69HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
4.32Polar Surface Area:
59.42HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
UnknownAlogP:
4.62Polar Surface Area:
50.19HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS
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