Type:
UnknownAlogP:
6.45Polar Surface Area:
95.28HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.12DETAILS
Type:
UnknownAlogP:
2.99Polar Surface Area:
79.63HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
UnknownAlogP:
5.76Polar Surface Area:
52.93HBA:
7HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.26DETAILS
Type:
UnknownAlogP:
-3.33Polar Surface Area:
176.58HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
UnknownAlogP:
3.58Polar Surface Area:
142.05HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS-
Type:
UnknownAlogP:
3.81Polar Surface Area:
98.91HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
-0.16Polar Surface Area:
154.64HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
UnknownAlogP:
1.39Polar Surface Area:
176.62HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
UnknownAlogP:
2.89Polar Surface Area:
67.31HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
UnknownAlogP:
3.81Polar Surface Area:
43.78HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4475235
Name:
3beta-(chloroacetyl)amino-3-deoxydigitoxigeninMol. Formula:
C25H36ClNO4M.W.:
450.02Type:
UnknownAlogP:
3.97Polar Surface Area:
75.63HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
UnknownAlogP:
9.38Polar Surface Area:
46.17HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
UnknownAlogP:
-0.04Polar Surface Area:
127.09HBA:
3HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
3.58Polar Surface Area:
142.05HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
UnknownAlogP:
9.77Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
UnknownAlogP:
3.77Polar Surface Area:
42.25HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
4.19Polar Surface Area:
144.45HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
UnknownAlogP:
2.73Polar Surface Area:
68.63HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
UnknownAlogP:
2.56Polar Surface Area:
79.63HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
UnknownAlogP:
-2.35Polar Surface Area:
156.35HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS
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