Type:
---AlogP:
1.58Polar Surface Area:
34.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.67DETAILS
Type:
---AlogP:
1.81Polar Surface Area:
34.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.72DETAILS
Type:
---AlogP:
2.57Polar Surface Area:
34.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.84DETAILS
Type:
---AlogP:
2.07Polar Surface Area:
34.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.72DETAILS
Type:
---AlogP:
1.56Polar Surface Area:
34.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.69DETAILS-
Type:
---AlogP:
2.24Polar Surface Area:
34.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.73DETAILS -
Type:
---AlogP:
1.95Polar Surface Area:
34.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILS -
Type:
---AlogP:
1.72Polar Surface Area:
34.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.70DETAILS -
Type:
---AlogP:
2.18Polar Surface Area:
34.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.78DETAILS -
Type:
---AlogP:
1.42Polar Surface Area:
34.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.65DETAILS -
Type:
---AlogP:
2.35Polar Surface Area:
34.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.78DETAILS - ALA5199308
Name:
(S)-3,6,7-trihydroxy-3,4-dihydronaphthalen-1(2H)-oneMol. Formula:
C10H10O4M.W.:
194.19Type:
---AlogP:
0.59Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
UnknownAlogP:
5.45Polar Surface Area:
109.00HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
UnknownAlogP:
4.99Polar Surface Area:
116.70HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
UnknownAlogP:
6.24Polar Surface Area:
96.47HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.21DETAILS - ALA4548988
Name:
(S)-methyl 2-(2-hydroxy-3,4-dimethyl-5-oxo-2,5-dihydrofuran-2-yl)acetateMol. Formula:
C9H12O5M.W.:
200.19Type:
UnknownAlogP:
0.13Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
3.88Polar Surface Area:
118.47HBA:
6HBD:
5#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
UnknownAlogP:
3.88Polar Surface Area:
118.47HBA:
6HBD:
5#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
UnknownAlogP:
4.99Polar Surface Area:
116.70HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
UnknownAlogP:
4.47Polar Surface Area:
98.24HBA:
5HBD:
4#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.35DETAILS
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