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ALA5275973 Name:
2-(4-pyridyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one hydrochloride
Mol. Formula:
C12H12ClN3O
M.W.:
249.70
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
1.36
Polar Surface Area:
57.78
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.75
DETAILS
CLOSE
ALA5275774 Name:
(Z)-6-(((4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl)amino)methylene)-3H-1,2,4-Show More⌵
Mol. Formula:
C17H11N7O3
M.W.:
361.32
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.15
Polar Surface Area:
141.56
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5287796 Name:
5-hydroxy-7-methoxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperazin-1-yl-cShow More⌵
Mol. Formula:
C25H30N4O4
M.W.:
450.54
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.34
Polar Surface Area:
81.42
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5287103 Name:
(6E)-6-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methylene]-1,2,4-triazepiShow More⌵
Mol. Formula:
C17H11N7O3
M.W.:
361.32
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.15
Polar Surface Area:
141.56
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5285499 Name:
(1R,3R)-N3-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
Mol. Formula:
C14H21N5
M.W.:
259.36
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
1.97
Polar Surface Area:
68.24
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA5198594 Name:
N,N-Dimethyl-2-(4-(4-(6-oxo-1-(2-(tetrahydro-2H-pyran-4-yl)-ethyl)-1,6-dihyShow More⌵
Mol. Formula:
C28H37N5O3
M.W.:
491.64
Type:
---
AlogP:
3.48
Polar Surface Area:
83.46
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5198372 Name:
N,N-Dimethyl-2-(4-(4-(1-(2-(methylthio)ethyl)-6-oxo-1,6-dihydropyridin-3-ylShow More⌵
Mol. Formula:
C24H31N5O2S
M.W.:
453.61
Type:
---
AlogP:
3.02
Polar Surface Area:
74.23
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5198038 Name:
2-(4-(4-(1-Isopropyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-pyrrolo-[2,3-b]pyridShow More⌵
Mol. Formula:
C24H31N5O2
M.W.:
421.55
Type:
---
AlogP:
3.24
Polar Surface Area:
74.23
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5197656 Name:
N-(5-(((5-(tert-butyl)oxazol-2-yl)methyl)thio)thiazol-2-yl)-1-((1-(2-(((1R,Show More⌵
Mol. Formula:
C35H55N5O4S2
M.W.:
673.99
Type:
---
AlogP:
7.09
Polar Surface Area:
100.80
HBA:
9
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5197170 Name:
1-Isopropyl-5-(2-(1-(2-oxo-2-(piperidin-1-yl)ethyl)piperidin-4-yl)-1H-pyrroShow More⌵
Mol. Formula:
C27H35N5O2
M.W.:
461.61
Type:
---
AlogP:
4.16
Polar Surface Area:
74.23
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5204966 Name:
N-(5-(((5-(tert-butyl)oxazol-2-yl)methyl)thio)thiazol-2-yl)-1-(2-(((1R,2S,5Show More⌵
Mol. Formula:
C29H44N4O4S2
M.W.:
576.83
Type:
---
AlogP:
6.38
Polar Surface Area:
97.56
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5204939 Name:
N,N-Dimethyl-2-(4-(4-(6-oxo-1-((tetrahydro-2H-pyran-4-yl)-methyl)-1,6-dihydShow More⌵
Mol. Formula:
C27H35N5O3
M.W.:
477.61
Type:
---
AlogP:
3.09
Polar Surface Area:
83.46
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5204473 Name:
2-(4-(4-(1-Isopropyl-6-oxo-1,6-dihydropyridazin-3-yl)-1H-pyrrolo[2,3-b]pyriShow More⌵
Mol. Formula:
C23H30N6O2
M.W.:
422.53
Type:
---
AlogP:
2.64
Polar Surface Area:
87.12
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5203694 Name:
2-(4-(4-(1-Isobutyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-pyrrolo-[2,3-b]pyridiShow More⌵
Mol. Formula:
C25H33N5O2
M.W.:
435.57
Type:
---
AlogP:
3.32
Polar Surface Area:
74.23
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5201044 Name:
(4-(2-(4-(morpholinomethyl)phenyl)-3H-imidazo[4,5-b]pyridin-7-yl)phenyl)(pyShow More⌵
Mol. Formula:
C28H29N5O2
M.W.:
467.57
Type:
---
AlogP:
4.36
Polar Surface Area:
74.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5200778 Name:
5-(2-(1-(2,2-Difluoroethyl)piperidin-4-yl)-1H-pyrrolo(2,3-b)-pyridin-4-yl)-Show More⌵
Mol. Formula:
C22H26F2N4O
M.W.:
400.47
Type:
---
AlogP:
4.42
Polar Surface Area:
53.92
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5199821 Name:
1-((2-(3-((3S,5S,7S)-Adamantan-1-yl)ureido)ethyl)sulfonyl)-N-(5-(((5-(tert-Show More⌵
Mol. Formula:
C30H44N6O5S3
M.W.:
664.92
Type:
---
AlogP:
4.97
Polar Surface Area:
146.53
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5199469 Name:
N-(5-(((5-(tert-butyl)oxazol-2-yl)methyl)thio)thiazol-2-yl)-1-((2-((R)-2-((Show More⌵
Mol. Formula:
C40H65N9O11S3
M.W.:
944.21
Type:
---
AlogP:
5.90
Polar Surface Area:
261.85
HBA:
16
HBD:
5
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5199352 Name:
(3-Methoxy-4-(2-(tetrahydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl)phShow More⌵
Mol. Formula:
C24H27N3O3
M.W.:
405.50
Type:
---
AlogP:
4.37
Polar Surface Area:
67.45
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5209369 Name:
N-((trans)-4-(4-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)cyShow More⌵
Mol. Formula:
C22H24FN3O2
M.W.:
381.45
Type:
---
AlogP:
4.54
Polar Surface Area:
67.01
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
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