Type:
Small moleculeAlogP:
1.10Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
Small moleculeAlogP:
2.20Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.37DETAILS
ALA2270295Name:
11alpha,13-dihydro-13-hydroxydehydrocostus lactoneMol. Formula:
C15H20O3M.W.:
248.32Type:
Small moleculeAlogP:
2.07Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.57DETAILS
Type:
Small moleculeAlogP:
2.95Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
2.14Polar Surface Area:
108.61HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS- ALA2268766
Name:
(+)-threo-guaiacylglycerol-beta-O-4'-sinapyl etherMol. Formula:
C21H26O8M.W.:
406.43Type:
Small moleculeAlogP:
1.90Polar Surface Area:
117.84HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA2268765
Name:
3,3'-(4,4'-oxybis(3-methoxy-4,1-phenylene))diacrylic acidMol. Formula:
C20H18O7M.W.:
370.36Type:
Small moleculeAlogP:
3.69Polar Surface Area:
102.29HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
4.17Polar Surface Area:
213.68HBA:
16HBD:
6#RO5 Violations:
3#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.08DETAILS - ALA2268763
Name:
Erythro-Guaiacylglycerol-beta-O-4'-dehydrodisinapyl etherMol. Formula:
C31H36O11M.W.:
584.62Type:
Small moleculeAlogP:
3.12Polar Surface Area:
156.53HBA:
11HBD:
5#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
3.14Polar Surface Area:
147.30HBA:
10HBD:
5#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA2228074
Name:
6-chloro-2-ethyl-4-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-oneMol. Formula:
C10H10ClNO3M.W.:
227.65Type:
Small moleculeAlogP:
2.23Polar Surface Area:
49.77HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.75DETAILS - ALA2228069
Name:
2-ethyl-6-fluoro-4-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-oneMol. Formula:
C10H10FNO3M.W.:
211.19Type:
Small moleculeAlogP:
1.72Polar Surface Area:
49.77HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.72DETAILS
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