- ALA3145355
Name:
SID121286004Mol. Formula:
C10H12N2OM.W.:
176.22/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small moleculeAlogP:
1.91Polar Surface Area:
37.79HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.71DETAILS Type:
Small moleculeAlogP:
5.70Polar Surface Area:
49.84HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILSType:
Small moleculeAlogP:
3.90Polar Surface Area:
62.30HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILSType:
Small moleculeAlogP:
2.65Polar Surface Area:
132.06HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.41DETAILSType:
Small moleculeAlogP:
2.41Polar Surface Area:
79.26HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILSType:
Small moleculeAlogP:
2.99Polar Surface Area:
125.21HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILSType:
Small moleculeAlogP:
4.26Polar Surface Area:
80.99HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.43DETAILSType:
Small moleculeAlogP:
0.47Polar Surface Area:
80.23HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.82DETAILSType:
Small moleculeAlogP:
2.48Polar Surface Area:
83.55HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.80DETAILSType:
Small moleculeAlogP:
3.65Polar Surface Area:
78.68HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILSType:
Small moleculeAlogP:
2.16Polar Surface Area:
95.86HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILSType:
Small moleculeAlogP:
2.82Polar Surface Area:
69.72HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILSType:
Small moleculeAlogP:
3.72Polar Surface Area:
48.47HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILSType:
Small moleculeAlogP:
4.72Polar Surface Area:
82.08HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILSType:
Small moleculeAlogP:
5.82Polar Surface Area:
80.23HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILSType:
Small moleculeAlogP:
2.92Polar Surface Area:
127.09HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILSType:
Small moleculeAlogP:
3.19Polar Surface Area:
64.47HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILSType:
Small moleculeAlogP:
3.82Polar Surface Area:
27.05HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.80DETAILSType:
Small moleculeAlogP:
2.31Polar Surface Area:
159.96HBA:
7HBD:
7#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.21DETAILS