- ALA5275790
Name:
1-(4-hydroxy-3-methylphenyl)-3-(4-(piperidin-1-yl)phenyl)prop-2-en-1-oneMol. Formula:
C21H23NO2M.W.:
321.42/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.59Polar Surface Area:
40.54HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA5283656
Name:
1-(4-hydroxy-3-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-oneMol. Formula:
C17H16O3M.W.:
268.31/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.61Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA5267520
Name:
3-(3-bromo-4-methoxyphenyl)-1-(4-hydroxy-3-methylphenyl)prop-2-en-1-oneMol. Formula:
C17H15BrO3M.W.:
347.21/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.37Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA5266993
Name:
3-(4-chlorophenyl)-1-(4-hydroxy-3-methylphenyl)prop-2-en-1-oneMol. Formula:
C16H13ClO2M.W.:
272.73/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.25Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS Type:
UnknownAlogP:
0.91Polar Surface Area:
89.90HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.66DETAILSType:
UnknownAlogP:
6.49Polar Surface Area:
30.49HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILSType:
UnknownAlogP:
6.49Polar Surface Area:
30.49HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILSType:
UnknownAlogP:
5.71Polar Surface Area:
39.72HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILSType:
UnknownAlogP:
6.50Polar Surface Area:
39.72HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILSType:
UnknownAlogP:
6.49Polar Surface Area:
56.79HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILSType:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILSType:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS- ALA4097904
Name:
4-(aminomethyl)-N-(4-(3-(3-nitrophenyl)ureido)phenyl)benzenesulfonamideMol. Formula:
C20H19N5O5SM.W.:
441.47Type:
Small moleculeAlogP:
3.50Polar Surface Area:
156.46HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.32DETAILS Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILSType:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILSType:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILSType:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS