Type:
Small moleculeAlogP:
6.14Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
Small moleculeAlogP:
0.85Polar Surface Area:
111.67HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
Small moleculeAlogP:
1.80Polar Surface Area:
108.36HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
Small moleculeAlogP:
2.18Polar Surface Area:
82.06HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
Small moleculeAlogP:
4.59Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS-
Type:
Small moleculeAlogP:
1.03Polar Surface Area:
211.28HBA:
11HBD:
7#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
1.23Polar Surface Area:
102.29HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
-1.27Polar Surface Area:
260.20HBA:
15HBD:
10#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
6.28Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
2.24Polar Surface Area:
78.90HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
4.66Polar Surface Area:
74.60HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
0.77Polar Surface Area:
130.26HBA:
10HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
2.19Polar Surface Area:
89.90HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
5.08Polar Surface Area:
50.44HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
5.21Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
-0.15Polar Surface Area:
144.52HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4279879
Name:
2-Oxo-8beta-tigloyloxy-guaia-1(10),3,11(13)-trien-6alpha,12-olideMol. Formula:
C20H22O5M.W.:
342.39Type:
Small moleculeAlogP:
2.83Polar Surface Area:
69.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
0.94Polar Surface Area:
134.80HBA:
10HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
8.02Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
0.95Polar Surface Area:
113.29HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS
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