- ALA5272277
Name:
Show More⌵Mol. Formula:
C32H32ClNO4M.W.:
530.06/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
6.68Polar Surface Area:
59.00HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA5271767
Name:
Glyclauxin CMol. Formula:
C35H33NO14M.W.:
691.64/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
0.20Polar Surface Area:
228.35HBA:
15HBD:
5#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA5273603
Name:
DuclauxinMol. Formula:
C29H22O11M.W.:
546.48/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.34Polar Surface Area:
166.64HBA:
11HBD:
2#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5286827
Name:
Glyclauxin EMol. Formula:
C36H31NO14M.W.:
701.64/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
1.07Polar Surface Area:
225.19HBA:
15HBD:
4#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA5284533
Name:
Glyclauxin DMol. Formula:
C33H31NO13M.W.:
649.61/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
-0.37Polar Surface Area:
222.28HBA:
14HBD:
6#RO5 Violations:
3#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA5282777
Name:
Glyclauxin BMol. Formula:
C34H29NO13M.W.:
659.60/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
0.50Polar Surface Area:
219.12HBA:
14HBD:
5#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA5289732
Name:
Glyclauxin AMol. Formula:
C32H27NO12M.W.:
617.56/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
-0.07Polar Surface Area:
213.05HBA:
13HBD:
6#RO5 Violations:
3#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.21DETAILS - ALA5219971
Name:
4-methyl-N-((2-(3,4,5-trimethoxyphenyl)pyridin-3-yl)methyl)anilineMol. Formula:
C22H24N2O3M.W.:
364.45Type:
---AlogP:
4.69Polar Surface Area:
52.61HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA5219943
Name:
4-methoxy-N-((2-(3,4,5-trimethoxyphenyl)pyridin-3-yl)methyl)anilineMol. Formula:
C22H24N2O4M.W.:
380.44Type:
---AlogP:
4.40Polar Surface Area:
61.84HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA5219715
Name:
N-((2-(3,5-dimethoxyphenyl)pyridin-3-yl)methyl)-4-methoxyanilineMol. Formula:
C21H22N2O3M.W.:
350.42Type:
---AlogP:
4.39Polar Surface Area:
52.61HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA5219713
Name:
2-(3,4-dimethoxyphenyl)-N-(4-methoxybenzyl)pyridin-3-amineMol. Formula:
C21H22N2O3M.W.:
350.42Type:
---AlogP:
4.39Polar Surface Area:
52.61HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA5219493
Name:
N-(4-chlorobenzyl)-2-(3,5-dimethoxyphenyl)pyridin-3-amineMol. Formula:
C20H19ClN2O2M.W.:
354.84Type:
---AlogP:
5.03Polar Surface Area:
43.38HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS- ALA5220864
Name:
4-chloro-N-((2-(3,4,5-trimethoxyphenyl)pyridin-3-yl)methyl)anilineMol. Formula:
C21H21ClN2O3M.W.:
384.86Type:
---AlogP:
5.04Polar Surface Area:
52.61HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA5220854
Name:
2-(3,4-dimethoxyphenyl)-N-(4-methylbenzyl)pyridin-3-amineMol. Formula:
C21H22N2O2M.W.:
334.42Type:
---AlogP:
4.69Polar Surface Area:
43.38HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA5220783
Name:
2-(3,5-dimethoxyphenyl)-N-(4-methoxybenzyl)pyridin-3-amineMol. Formula:
C21H22N2O3M.W.:
350.42Type:
---AlogP:
4.39Polar Surface Area:
52.61HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA5220680
Name:
2-(3,5-dimethoxyphenyl)-N-(4-methylbenzyl)pyridin-3-amineMol. Formula:
C21H22N2O2M.W.:
334.42Type:
---AlogP:
4.69Polar Surface Area:
43.38HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA5220621
Name:
N-((2-(3,5-dimethoxyphenyl)pyridin-3-yl)methyl)-4-methylanilineMol. Formula:
C21H22N2O2M.W.:
334.42Type:
---AlogP:
4.69Polar Surface Area:
43.38HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA5220389
Name:
4-chloro-N-((2-(3,4-dimethoxyphenyl)pyridin-3-yl)methyl)anilineMol. Formula:
C20H19ClN2O2M.W.:
354.84Type:
---AlogP:
5.03Polar Surface Area:
43.38HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS