Type:
UnknownAlogP:
3.54Polar Surface Area:
91.67HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
UnknownAlogP:
2.55Polar Surface Area:
54.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
UnknownAlogP:
5.52Polar Surface Area:
37.30HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
UnknownAlogP:
3.37Polar Surface Area:
37.30HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS
Type:
UnknownAlogP:
8.01Polar Surface Area:
54.37HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.14DETAILS-
Type:
UnknownAlogP:
2.48Polar Surface Area:
104.16HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
UnknownAlogP:
3.33Polar Surface Area:
161.38HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
UnknownAlogP:
2.14Polar Surface Area:
63.60HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
UnknownAlogP:
4.90Polar Surface Area:
37.30HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
UnknownAlogP:
5.25Polar Surface Area:
37.30HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
0.45Polar Surface Area:
155.67HBA:
10HBD:
4#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
UnknownAlogP:
7.00Polar Surface Area:
54.37HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
UnknownAlogP:
3.09Polar Surface Area:
54.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
2.69Polar Surface Area:
93.73HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
3.76Polar Surface Area:
37.30HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
UnknownAlogP:
3.33Polar Surface Area:
54.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA251749
Name:
(R)-4-Hydroxy-5-methyl-5-((E)-2-methylbuta-1,3-dienyl)-thiophen-2(5H)-oneMol. Formula:
C10H12O2SM.W.:
196.27Type:
Small moleculeAlogP:
2.59Polar Surface Area:
37.30HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.69DETAILS
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