ALA4788671Name:
Rac-cis-9,10-epoxyoctadecanoic acidCas Number:
24560-98-3Mol. Formula:
C18H34O3M.W.:
298.47Type:
UnknownAlogP:
5.32Polar Surface Area:
49.83HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.33DETAILS
ALA4747409Name:
Rac-9,10-dihydroxyoctadecanoic acidCas Number:
120-87-6Mol. Formula:
C18H36O4M.W.:
316.48Type:
UnknownAlogP:
4.27Polar Surface Area:
77.76HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
Small moleculeAlogP:
2.75Polar Surface Area:
57.61HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA462972Name:
6,7-dihydroxy-3,7'-dicoumaryl etherCas Number:
53947-90-3Mol. Formula:
C18H10O7M.W.:
338.27Type:
Small moleculeAlogP:
3.10Polar Surface Area:
110.11HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
Small moleculeAlogP:
7.75Polar Surface Area:
83.83HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS-
Type:
Small moleculeAlogP:
8.47Polar Surface Area:
83.83HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
8.47Polar Surface Area:
83.83HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
7.15Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
7.01Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
8.03Polar Surface Area:
127.45HBA:
7HBD:
5#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
7.97Polar Surface Area:
127.45HBA:
7HBD:
5#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
7.32Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
7.70Polar Surface Area:
69.89HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
7.88Polar Surface Area:
58.89HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
9.45Polar Surface Area:
58.89HBA:
3HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
7.53Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
6.84Polar Surface Area:
60.16HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
8.23Polar Surface Area:
37.38HBA:
2HBD:
---#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
8.27Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
2#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
7.92Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.30DETAILS
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