- ALA5280900
Name:
rac-5-Chloro-3-nitro-2-(trifluoromethyl)-2H-chromeneMol. Formula:
C10H5ClF3NO3M.W.:
279.60/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.28Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA5280827
Name:
Show More⌵Mol. Formula:
C19H9F6NO3M.W.:
413.27/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.05Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA5280754
Name:
rac-6,8-Difluoro-3-nitro-2-(trifluoromethyl)-2H-chromeneMol. Formula:
C10H4F5NO3M.W.:
281.14/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.91Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.45DETAILS - ALA5280679
Name:
rac-2-(Trifluoromethyl)chroman-3-amineMol. Formula:
C10H10F3NOM.W.:
217.19/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
1.88Polar Surface Area:
35.25HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.72DETAILS - ALA5279730
Name:
rac-6-Chloro-3-nitro-2-(trifluoromethyl)-2H-chromeneMol. Formula:
C10H5ClF3NO3M.W.:
279.60/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.28Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA5279172
Name:
rac-6-((4-Chlorophenyl)ethynyl)-3-nitro-2-(trifluoromethyl)-2H-chromeneMol. Formula:
C18H9ClF3NO3M.W.:
379.72/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.68Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA5278019
Name:
rac-Triethyl((3-nitro-2-(trifluoromethyl)-2H-chromen-5-yl)ethynyl)silaneMol. Formula:
C18H20F3NO3SiM.W.:
383.44/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5277295
Name:
rac-8-Chloro-3-nitro-2-(trifluoromethyl)-2H-chromeneMol. Formula:
C10H5ClF3NO3M.W.:
279.60/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.28Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA5274964
Name:
rac-((2-Cyclopropyl-3-nitro-2H-chromen-6-yl)ethynyl)triethylsilaneMol. Formula:
C20H25NO3SiM.W.:
355.51/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5274312
Name:
rac-Triethyl((3-nitro-2-(trifluoromethyl)-2H-chromen-8-yl)ethynyl)silaneMol. Formula:
C18H20F3NO3SiM.W.:
383.44/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5272895
Name:
1,2-bis(4-isothiocyanatophenyl)ethaneMol. Formula:
C16H12N2S2M.W.:
296.42/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.94Polar Surface Area:
24.72HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA5286996
Name:
rac-8-Bromo-6-fluoro-3-nitro-2-(trifluoromethyl)-2H-chromeneMol. Formula:
C10H4BrF4NO3M.W.:
342.04/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.53Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5285710
Name:
rac-6-Iodo-2-methyl-3-nitro-2H-chromeneMol. Formula:
C10H8INO3M.W.:
317.08/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.69Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5284411
Name:
rac-6-((4-Fluorophenyl)ethynyl)-3-nitro-2-(trifluoromethyl)-2H-chromeneMol. Formula:
C18H9F4NO3M.W.:
363.27/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.17Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA5283362
Name:
Show More⌵Mol. Formula:
C19H12F3NO4M.W.:
375.30/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.52Polar Surface Area:
72.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA5283093
Name:
rac-5-Iodo-3-nitro-2-(trifluoromethyl)-2H-chromeneMol. Formula:
C10H5F3INO3M.W.:
371.05/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.23Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA5283029
Name:
rac-8-Iodo-3-nitro-2-(trifluoromethyl)-2H-chromeneMol. Formula:
C10H5F3INO3M.W.:
371.05/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.23Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA5288948
Name:
rac-7-Chloro-3-nitro-2-(trifluoromethyl)-2H-chromeneMol. Formula:
C10H5ClF3NO3M.W.:
279.60/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.28Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA5287628
Name:
rac-2-Cyclobutyl-6-iodo-3-nitro-2H-chromeneMol. Formula:
C13H12INO3M.W.:
357.15/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.47Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA5287483
Name:
rac-6-Fluoro-3-nitro-2-(trifluoromethyl)-2H-chromeneMol. Formula:
C10H5F4NO3M.W.:
263.15/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.77Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.44DETAILS