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ALA5272055 Name:
N1-(1,2,3,4-tetrahydroacridin-9-yl)-N10-(((3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetrShow More⌵
Mol. Formula:
C35H53N3O5
M.W.:
595.83
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
6.63
Polar Surface Area:
83.10
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5282048 Name:
(3aR,5S,6R,6aR)-2,2-dimethyl-5-((7-((1,2,3,4-tetrahydroacridin-9-yl)amino)hShow More⌵
Mol. Formula:
C27H39N3O4
M.W.:
469.63
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.26
Polar Surface Area:
84.87
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5280820 Name:
1-ethyl-3-(6-(5-((prop-2-yn-1-ylamino)methyl)-1H-benzo[d]imidazol-1-yl)pyriShow More⌵
Mol. Formula:
C18H19N7S
M.W.:
365.47
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
1.84
Polar Surface Area:
79.69
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5285687 Name:
N1-(((3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxolShow More⌵
Mol. Formula:
C32H49N3O4
M.W.:
539.76
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
6.13
Polar Surface Area:
73.87
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5288285 Name:
(3aR,5R,6S,6aR)-2,2-dimethyl-5-(((11-((1,2,3,4-tetrahydroacridin-9-yl)aminoShow More⌵
Mol. Formula:
C32H49N3O4
M.W.:
539.76
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.86
Polar Surface Area:
84.87
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5209880 Name:
(E)-1-benzyl-4(2-((3,4-dimethoxyphenyl)sulfonyl)vinyl)piperidine
Mol. Formula:
C22H27NO4S
M.W.:
401.53
Type:
---
AlogP:
3.90
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5208030 Name:
(Z)-1-benzyl-4(2-chloro-2-((3,4-dimethoxyphenyl)sulfonyl)vinyl)piperidine
Mol. Formula:
C22H26ClNO4S
M.W.:
435.97
Type:
---
AlogP:
4.47
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5206971 Name:
2-((4-Fluoro-1-(2-chlorobenzyl)piperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihShow More⌵
Mol. Formula:
C23H27ClFNO4S
M.W.:
467.99
Type:
---
AlogP:
4.45
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5205085 Name:
2-((1-(3-Chloro-4-fluorobenzyl)-4-fluoropiperidin-4-yl)methyl)-5,6-dimethoxShow More⌵
Mol. Formula:
C23H26ClF2NO4S
M.W.:
485.98
Type:
---
AlogP:
4.59
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5204649 Name:
2-((1-Benzyl-4-fluoropiperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihydrobenzo[Show More⌵
Mol. Formula:
C23H28FNO4S
M.W.:
433.55
Type:
---
AlogP:
3.80
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5204001 Name:
2-((1-(2,4-difluorobenzyl)-4-fluoropiperidin-4-yl)methyl)-5,6-dimethoxy-2,3Show More⌵
Mol. Formula:
C23H26F3NO4S
M.W.:
469.53
Type:
---
AlogP:
4.07
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5202413 Name:
2-((1-benzylpiperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihydrobenzo[b]thiopheShow More⌵
Mol. Formula:
C23H29NO4S
M.W.:
415.56
Type:
---
AlogP:
3.70
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5201084 Name:
2-((4-Fluoro-1-(4-fluorobenzyl)piperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihShow More⌵
Mol. Formula:
C23H27F2NO4S
M.W.:
451.54
Type:
---
AlogP:
3.94
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5200196 Name:
(E)-2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxy-2,3-dihydrobenzo[b]Show More⌵
Mol. Formula:
C23H27NO4S
M.W.:
413.54
Type:
---
AlogP:
3.83
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5199752 Name:
2-((4-Fluoro-1-(2-fluorobenzyl)piperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihShow More⌵
Mol. Formula:
C23H27F2NO4S
M.W.:
451.54
Type:
---
AlogP:
3.94
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5199093 Name:
(E)-2-((1-benzylpiperidin-4-yl)methylene)-7,8-dimethoxy-2,3,4,5-tetrahydrobShow More⌵
Mol. Formula:
C25H31NO4S
M.W.:
441.59
Type:
---
AlogP:
4.61
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5198028 Name:
2-((4-Fluoro-1-(3-methylbenzyl)piperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihShow More⌵
Mol. Formula:
C24H30FNO4S
M.W.:
447.57
Type:
---
AlogP:
4.11
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5197334 Name:
(E)-2-((1-benzylpiperidin-4-yl)methylene)-6,7-dimethoxythiochromane 1,1-dioShow More⌵
Mol. Formula:
C24H29NO4S
M.W.:
427.57
Type:
---
AlogP:
4.22
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5193449 Name:
2-((4-Fluoro-1-(2-(trifluoromethyl)benzyl)piperidin-4-yl)methyl)-5,6-dimethShow More⌵
Mol. Formula:
C24H27F4NO4S
M.W.:
501.54
Type:
---
AlogP:
4.82
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5190674 Name:
2-((1-(3-Fluorobenzyl)piperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihydrobenzoShow More⌵
Mol. Formula:
C23H28FNO4S
M.W.:
433.55
Type:
---
AlogP:
3.84
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
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