ALA3140370Name:
Azimilide- dihydrochlorideCas Number:
149888-94-8Mol. Formula:
C23H30Cl3N5O3M.W.:
530.88Type:
Small moleculeAlogP:
3.23Polar Surface Area:
72.60HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.35DETAILS
Type:
Small moleculeAlogP:
5.26Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
Small moleculeAlogP:
1.70Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.63DETAILS
Type:
Small moleculeAlogP:
5.68Polar Surface Area:
24.06HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
Small moleculeAlogP:
-1.29Polar Surface Area:
108.02HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.39DETAILS-
Type:
Small moleculeAlogP:
-5.40Polar Surface Area:
189.53HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
2.82Polar Surface Area:
35.25HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
2.25Polar Surface Area:
210.23HBA:
12HBD:
6#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
1.18Polar Surface Area:
57.23HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
1.82Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
4.51Polar Surface Area:
36.02HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
-0.09Polar Surface Area:
135.79HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
5.06Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA1697848
Name:
Prednisolone valerate acetateCas Number:
72064-79-0Mol. Formula:
C28H38O7M.W.:
486.61Type:
Small moleculeAlogP:
3.87Polar Surface Area:
106.97HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
1.45Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.27Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
1.82Polar Surface Area:
186.22HBA:
14HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
2.87Polar Surface Area:
192.06HBA:
14HBD:
5#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
4.45Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS
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