- ALA5277300
Name:
4-hydroxy-2-hexenalMol. Formula:
C6H10O2M.W.:
114.14/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
0.51Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.43DETAILS Type:
Small moleculeAlogP:
0.98Polar Surface Area:
325.20HBA:
19HBD:
7#RO5 Violations:
3#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.05DETAILSType:
Small moleculeAlogP:
0.94Polar Surface Area:
325.20HBA:
19HBD:
7#RO5 Violations:
3#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.05DETAILSType:
Small moleculeAlogP:
2.44Polar Surface Area:
68.51HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILSType:
Small moleculeAlogP:
4.19Polar Surface Area:
95.96HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILSType:
Small moleculeAlogP:
2.49Polar Surface Area:
67.49HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILSType:
Small moleculeAlogP:
4.16Polar Surface Area:
90.39HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.30DETAILSType:
Small moleculeAlogP:
1.07Polar Surface Area:
116.65HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILSType:
Small moleculeAlogP:
1.74Polar Surface Area:
81.12HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILSType:
Small moleculeAlogP:
0.85Polar Surface Area:
110.58HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILSType:
Small moleculeAlogP:
1.50Polar Surface Area:
80.38HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILSType:
Small moleculeAlogP:
3.18Polar Surface Area:
59.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.60DETAILSType:
Small moleculeAlogP:
0.93Polar Surface Area:
116.65HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILSType:
Small moleculeAlogP:
1.74Polar Surface Area:
81.12HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILSType:
Small moleculeAlogP:
1.00Polar Surface Area:
124.26HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILSType:
Small moleculeAlogP:
2.33Polar Surface Area:
141.04HBA:
11HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS