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ALA5282648 Name:
(2-aminothiazol-4-yl)-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aHShow More⌵
Mol. Formula:
C12H13F3N4O2S
M.W.:
334.32
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
1.98
Polar Surface Area:
91.81
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA5282577 Name:
ethyl (2S)-2-amino-5-guanidino-pentanoate
Mol. Formula:
C8H18N4O2
M.W.:
202.26
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/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
-0.86
Polar Surface Area:
114.22
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5274272 Name:
2-(dimethylamino)-1,3-benzothiazol-6-ol
Mol. Formula:
C9H10N2OS
M.W.:
194.26
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.07
Polar Surface Area:
36.36
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5285058 Name:
(3Z)-5-bromo-3-[(3-bromo-4,5-dihydroxy-phenyl)methylene]indolin-2-one
Mol. Formula:
C15H9Br2NO3
M.W.:
411.05
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.12
Polar Surface Area:
69.56
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5290696 Name:
4-[(1R)-1-aminoethyl]-N-methyl-N-(4-pyridyl)cyclohexanecarboxamide
Mol. Formula:
C15H23N3O
M.W.:
261.37
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/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.20
Polar Surface Area:
59.22
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.91
DETAILS
CLOSE
ALA5289080 Name:
N-(4-anilinophenyl)-2-(2-methylphenoxy)acetamide
Mol. Formula:
C21H20N2O2
M.W.:
332.40
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.76
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5288657 Name:
N-(4-anilinophenyl)-2-(3-methylphenoxy)acetamide
Mol. Formula:
C21H20N2O2
M.W.:
332.40
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.76
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5288592 Name:
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-iodo-4H-quinazolin-2-yl)-2-methyl-pShow More⌵
Mol. Formula:
C30H35IN4O
M.W.:
594.54
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/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
6.16
Polar Surface Area:
61.93
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5195936 Name:
4-(3-hydroxy-4-(6-(2,2,6,6-tetramethylpiperidin-4-yloxy)pyridazin-3-yl)phenShow More⌵
Mol. Formula:
C24H28N4O3
M.W.:
420.51
Type:
---
AlogP:
4.30
Polar Surface Area:
100.39
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5179682 Name:
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-flShow More⌵
Mol. Formula:
C23H25FN6
M.W.:
404.49
Type:
---
AlogP:
4.29
Polar Surface Area:
59.21
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5175104 Name:
7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methyl-2H-indazol-5-yl)-4H-pyrido[1Show More⌵
Mol. Formula:
C24H27N5O
M.W.:
401.51
Type:
---
AlogP:
3.76
Polar Surface Area:
55.43
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4878942 Name:
(S)-2-(3-(3-cyclopropylpiperazin-1-yl)-1,2,4-triazin-6-yl)-5-(2-methyl-2H-[Show More⌵
Mol. Formula:
C22H23N9O
M.W.:
429.49
Type:
Unknown
AlogP:
1.78
Polar Surface Area:
117.77
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4877699 Name:
2-(3-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-[1,2,3]triazolo[4,5-c]pyridazinShow More⌵
Mol. Formula:
C22H25N7OS
M.W.:
435.56
Type:
Unknown
AlogP:
4.20
Polar Surface Area:
101.64
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4877649 Name:
2-(3-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-[1,2,3]triazolo[4,5-c]pyridazinShow More⌵
Mol. Formula:
C21H24N8OS
M.W.:
436.55
Type:
Unknown
AlogP:
3.59
Polar Surface Area:
114.53
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4875823 Name:
5-(1H-pyrazol-4-yl)-2-(7-(2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yShow More⌵
Mol. Formula:
C24H25N5OS
M.W.:
431.57
Type:
Unknown
AlogP:
5.39
Polar Surface Area:
86.72
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4875396 Name:
5-(4-methoxy-1,3,5-triazin-2-yl)-2-(3-(2,2,6,6-tetramethylpiperidin-4-yl)-3Show More⌵
Mol. Formula:
C23H27N9O2
M.W.:
461.53
Type:
Unknown
AlogP:
2.94
Polar Surface Area:
136.65
HBA:
11
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4875017 Name:
5-(7-fluoro-2-methyl-2H-indazol-5-yl)-2-(3-(3-(hydroxymethyl)piperazin-1-ylShow More⌵
Mol. Formula:
C22H22FN7O2
M.W.:
435.46
Type:
Unknown
AlogP:
1.71
Polar Surface Area:
112.22
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4867927 Name:
2-(3-(3-ethylpiperazin-1-yl)-1,2,4-triazin-6-yl)-5-(8-fluoro-2-methylimidazShow More⌵
Mol. Formula:
C23H24FN7O
M.W.:
433.49
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
91.47
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4863336 Name:
(S)-2-(3-(3-cyclopropylpiperazin-1-yl)-1,2,4-triazin-6-yl)-5-(3-fluoro-1H-pShow More⌵
Mol. Formula:
C19H20FN7O
M.W.:
381.42
Type:
Unknown
AlogP:
1.96
Polar Surface Area:
102.85
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4862205 Name:
5-(oxazol-2-yl)-2-(3-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-[1,2,3]triazoloShow More⌵
Mol. Formula:
C22H25N7O2
M.W.:
419.49
Type:
Unknown
AlogP:
3.73
Polar Surface Area:
114.78
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
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