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ALA5269182 Name:
Mol. Formula:
C27H40N2O4
M.W.:
456.63
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.45
Polar Surface Area:
52.19
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5277918 Name:
N1-(7-chloroquinolin-4-yl)-N4-(3-(1-phenylvinyl)-1,2,5-trioxaspiro[5.5]undeShow More⌵
Mol. Formula:
C29H34ClN3O3
M.W.:
508.06
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
6.37
Polar Surface Area:
64.64
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5276167 Name:
N1-(7-chloroquinolin-4-yl)-N2-(3-(1-phenylvinyl)-1,2,5-trioxaspiro[5.5]undeShow More⌵
Mol. Formula:
C27H30ClN3O3
M.W.:
480.01
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.59
Polar Surface Area:
64.64
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5285388 Name:
Mol. Formula:
C24H36N4O4
M.W.:
444.58
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.24
Polar Surface Area:
77.97
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5284957 Name:
Mol. Formula:
C20H33NO5
M.W.:
367.49
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.96
Polar Surface Area:
58.18
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5284459 Name:
Mol. Formula:
C41H68BrNO7
M.W.:
766.90
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
9.35
Polar Surface Area:
72.45
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5283296 Name:
N1-(7-chloroquinolin-4-yl)-N3-(3-(1-phenylvinyl)-1,2,5-trioxaspiro[5.5]undeShow More⌵
Mol. Formula:
C28H32ClN3O3
M.W.:
494.04
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.98
Polar Surface Area:
64.64
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5205093 Name:
7-chloro-N-[(1S)-3-methyl-1-[(4-methylpiperazin-1-yl)methyl]butyl]quinolin-Show More⌵
Mol. Formula:
C20H30Cl2N4
M.W.:
397.39
Type:
---
AlogP:
3.96
Polar Surface Area:
31.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4878584 Name:
4-(2-(4-(4-(1-(6,7,10-trioxaspiro[4.5]decan-8-yl)vinyl)phenoxy)phenoxy)ethoShow More⌵
Mol. Formula:
C27H30O9
M.W.:
498.53
Type:
Unknown
AlogP:
4.90
Polar Surface Area:
109.75
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4875685 Name:
2-(7-(4-(1-(6,7,10-trioxaspiro[4.5]decan-8-yl)vinyl)phenoxy)naphthalen-2-ylShow More⌵
Mol. Formula:
C27H28O6
M.W.:
448.52
Type:
Unknown
AlogP:
5.63
Polar Surface Area:
66.38
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4875636 Name:
4-(2-(5-(4-(1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)vinyl)phenoxy)naphthalen-Show More⌵
Mol. Formula:
C32H34O9
M.W.:
562.62
Type:
Unknown
AlogP:
6.44
Polar Surface Area:
109.75
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4871717 Name:
2-(5-(4-(1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)vinyl)phenoxy)naphthalen-1-yShow More⌵
Mol. Formula:
C28H30O6
M.W.:
462.54
Type:
Unknown
AlogP:
6.02
Polar Surface Area:
66.38
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4869812 Name:
2-(4-(4-(1-(6,7,10-trioxaspiro[4.5]decan-8-yl)vinyl)phenoxy)phenoxy)ethanol
Mol. Formula:
C23H26O6
M.W.:
398.46
Type:
Unknown
AlogP:
4.48
Polar Surface Area:
66.38
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4866656 Name:
NA
Mol. Formula:
C32H36O9
M.W.:
564.63
Type:
Unknown
AlogP:
5.78
Polar Surface Area:
109.75
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4866157 Name:
NA
Mol. Formula:
C32H34O6
M.W.:
514.62
Type:
Unknown
AlogP:
6.52
Polar Surface Area:
66.38
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4866100 Name:
NA
Mol. Formula:
C28H32O6
M.W.:
464.56
Type:
Unknown
AlogP:
5.36
Polar Surface Area:
66.38
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4860640 Name:
2-(4-(4-(1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)vinyl)phenoxy)phenoxy)ethanoShow More⌵
Mol. Formula:
C24H28O6
M.W.:
412.48
Type:
Unknown
AlogP:
4.87
Polar Surface Area:
66.38
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4860217 Name:
NA
Mol. Formula:
C36H38O9
M.W.:
614.69
Type:
Unknown
AlogP:
6.93
Polar Surface Area:
109.75
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4859247 Name:
2-(7-(4-(1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)vinyl)phenoxy)naphthalen-2-yShow More⌵
Mol. Formula:
C28H30O6
M.W.:
462.54
Type:
Unknown
AlogP:
6.02
Polar Surface Area:
66.38
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4858334 Name:
4-(2-(5-(4-(1-(6,7,10-trioxaspiro[4.5]decan-8-yl)vinyl)phenoxy)naphthalen-1Show More⌵
Mol. Formula:
C31H32O9
M.W.:
548.59
Type:
Unknown
AlogP:
6.05
Polar Surface Area:
109.75
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
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