Type:
UnknownAlogP:
0.02Polar Surface Area:
128.73HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
UnknownAlogP:
4.41Polar Surface Area:
58.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
UnknownAlogP:
2.24Polar Surface Area:
61.83HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
UnknownAlogP:
4.21Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
UnknownAlogP:
1.69Polar Surface Area:
69.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS-
Type:
UnknownAlogP:
-0.41Polar Surface Area:
141.12HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
UnknownAlogP:
2.68Polar Surface Area:
69.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
1.23Polar Surface Area:
163.12HBA:
10HBD:
4#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.21DETAILS - ALA4646416
Name:
19-hydroxy-13-oxo-15,16-dinor-entlabda-8(17)-eneMol. Formula:
C18H30O2M.W.:
278.44Type:
UnknownAlogP:
4.13Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
UnknownAlogP:
1.35Polar Surface Area:
111.66HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
---AlogP:
5.88Polar Surface Area:
150.59HBA:
8HBD:
4#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
---AlogP:
7.59Polar Surface Area:
169.19HBA:
11HBD:
3#RO5 Violations:
3#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.03DETAILS -
Type:
UnknownAlogP:
3.38Polar Surface Area:
61.44HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
UnknownAlogP:
2.46Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
UnknownAlogP:
3.63Polar Surface Area:
46.67HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA4218806
Name:
6-methoxy-kaempferol 3-O-beta-D-galactopyranosideCas Number:
72945-43-8Mol. Formula:
C22H22O12M.W.:
478.41Type:
Small moleculeAlogP:
-0.24Polar Surface Area:
199.51HBA:
12HBD:
7#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
-2.75Polar Surface Area:
287.89HBA:
18HBD:
10#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
5.86Polar Surface Area:
111.52HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
4.57Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
-3.06Polar Surface Area:
298.89HBA:
18HBD:
11#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.11DETAILS
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