Type:
UnknownAlogP:
2.73Polar Surface Area:
113.54HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.20DETAILS
Type:
UnknownAlogP:
1.26Polar Surface Area:
146.29HBA:
10HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
UnknownAlogP:
3.52Polar Surface Area:
109.13HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
UnknownAlogP:
1.95Polar Surface Area:
149.75HBA:
11HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
UnknownAlogP:
2.64Polar Surface Area:
109.13HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.24DETAILS-
Type:
UnknownAlogP:
3.07Polar Surface Area:
167.33HBA:
11HBD:
2#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
UnknownAlogP:
2.64Polar Surface Area:
109.13HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
UnknownAlogP:
2.77Polar Surface Area:
109.13HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
UnknownAlogP:
2.77Polar Surface Area:
109.13HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA4095266
Name:
4alpha-acetylsalicylate-4-desoxypodophyllotoxinMol. Formula:
C31H28O11M.W.:
576.55Type:
Small moleculeAlogP:
4.20Polar Surface Area:
125.05HBA:
11HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
UnknownAlogP:
0.43Polar Surface Area:
160.61HBA:
10HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
UnknownAlogP:
2.64Polar Surface Area:
109.13HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
UnknownAlogP:
1.86Polar Surface Area:
109.13HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
5.96Polar Surface Area:
98.75HBA:
9HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
UnknownAlogP:
3.15Polar Surface Area:
109.13HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
UnknownAlogP:
2.50Polar Surface Area:
109.13HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
UnknownAlogP:
2.59Polar Surface Area:
113.54HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
UnknownAlogP:
0.98Polar Surface Area:
109.13HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
UnknownAlogP:
3.26Polar Surface Area:
109.13HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
UnknownAlogP:
2.77Polar Surface Area:
109.13HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS
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