- ALA5270240
Name:
3-((4-bromobenzyl)amino)-2-(4-fluorophenyl)quinazolin-4(3H)-oneMol. Formula:
C21H15BrFN3OM.W.:
424.27/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.71Polar Surface Area:
46.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA5282345
Name:
Show More⌵Mol. Formula:
C28H31FN4O2SM.W.:
506.65/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.63Polar Surface Area:
61.20HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.21DETAILS - ALA5279619
Name:
Show More⌵Mol. Formula:
C22H17F3N2O2M.W.:
398.38/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.49Polar Surface Area:
42.43HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA5275304
Name:
Show More⌵Mol. Formula:
C67H80Cl2N12O12M.W.:
1316.35/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS Type:
Small moleculeAlogP:
5.06Polar Surface Area:
119.90HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.20DETAILSType:
Small moleculeAlogP:
2.28Polar Surface Area:
160.28HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.15DETAILSType:
Small moleculeAlogP:
5.22Polar Surface Area:
26.79HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILSType:
Small moleculeAlogP:
4.93Polar Surface Area:
26.79HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILSType:
Small moleculeAlogP:
1.94Polar Surface Area:
169.07HBA:
10HBD:
7#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.13DETAILSType:
Small moleculeAlogP:
3.94Polar Surface Area:
47.02HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILSType:
Small moleculeAlogP:
4.20Polar Surface Area:
151.39HBA:
8HBD:
4#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.20DETAILSType:
Small moleculeAlogP:
4.38Polar Surface Area:
47.02HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILSType:
Small moleculeAlogP:
2.02Polar Surface Area:
179.16HBA:
12HBD:
6#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.14DETAILSType:
Small moleculeAlogP:
5.55Polar Surface Area:
32.78HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILSType:
Small moleculeAlogP:
1.29Polar Surface Area:
174.86HBA:
12HBD:
6#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.15DETAILSType:
Small moleculeAlogP:
5.25Polar Surface Area:
26.79HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILSType:
Small moleculeAlogP:
4.60Polar Surface Area:
36.02HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILSType:
Small moleculeAlogP:
2.63Polar Surface Area:
166.27HBA:
11HBD:
6#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.14DETAILSType:
Small moleculeAlogP:
5.41Polar Surface Area:
32.78HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.59DETAILSType:
Small moleculeAlogP:
1.41Polar Surface Area:
157.04HBA:
9HBD:
6#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.18DETAILS