Type:
Small moleculeAlogP:
2.58Polar Surface Area:
125.77HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILSType:
Small moleculeAlogP:
2.58Polar Surface Area:
125.77HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILSType:
Small moleculeAlogP:
1.89Polar Surface Area:
123.80HBA:
2HBD:
6#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS- ALA3144824
Name:
TCMDC-125382Mol. Formula:
C21H26N4OM.W.:
350.47/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small moleculeAlogP:
3.77Polar Surface Area:
63.57HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS Type:
Small moleculeAlogP:
5.01Polar Surface Area:
58.89HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILSType:
Small moleculeAlogP:
8.49Polar Surface Area:
45.55HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.12DETAILSType:
Small moleculeAlogP:
7.90Polar Surface Area:
45.55HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.15DETAILSType:
Small moleculeAlogP:
7.27Polar Surface Area:
58.44HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.14DETAILSType:
Small moleculeAlogP:
7.68Polar Surface Area:
58.44HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.15DETAILSType:
Small moleculeAlogP:
7.23Polar Surface Area:
54.78HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.15DETAILSType:
Small moleculeAlogP:
7.83Polar Surface Area:
71.33HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.15DETAILSType:
Small moleculeAlogP:
8.20Polar Surface Area:
45.55HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.10DETAILSType:
Small moleculeAlogP:
7.85Polar Surface Area:
45.55HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.14DETAILSType:
Small moleculeAlogP:
7.66Polar Surface Area:
58.44HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.12DETAILSType:
Small moleculeAlogP:
6.93Polar Surface Area:
76.26HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.12DETAILSType:
Small moleculeAlogP:
8.83Polar Surface Area:
58.44HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.12DETAILSType:
Small moleculeAlogP:
7.21Polar Surface Area:
58.44HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.14DETAILSType:
Small moleculeAlogP:
7.27Polar Surface Area:
67.23HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.10DETAILSType:
Small moleculeAlogP:
7.07Polar Surface Area:
76.26HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.11DETAILSType:
Small moleculeAlogP:
7.88Polar Surface Area:
45.55HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.13DETAILS