Type:
Small moleculeAlogP:
6.14Polar Surface Area:
70.77HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.35DETAILS
Type:
Small moleculeAlogP:
6.67Polar Surface Area:
79.72HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.29DETAILS
Type:
Small moleculeAlogP:
6.44Polar Surface Area:
79.72HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
Small moleculeAlogP:
5.72Polar Surface Area:
96.79HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
5.99Polar Surface Area:
74.83HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS-
Type:
Small moleculeAlogP:
5.99Polar Surface Area:
74.83HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
5.40Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA550421
Name:
Methyl abieta-8,13(15)-dien-18-oateCas Number:
19402-34-7Mol. Formula:
C21H32O2M.W.:
316.49Type:
Small moleculeAlogP:
5.58Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA559501
Name:
8,13(15)-Abietadien-18-oic acidCas Number:
19402-33-6Mol. Formula:
C20H30O2M.W.:
302.46Type:
Small moleculeAlogP:
5.49Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
5.32Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
5.61Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
1.43Polar Surface Area:
257.43HBA:
16HBD:
7#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.08DETAILS
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