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ALA5266788 Name:
N-((3s,5s,7s)-adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1H-pyraShow More⌵
Mol. Formula:
C26H35N3O2
M.W.:
421.59
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.72
Polar Surface Area:
67.15
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5273987 Name:
N-((3s,5s,7s)-adamantan-1-yl)-4-methyl-1-pentyl-5-phenyl-1H-pyrazole-3-carbShow More⌵
Mol. Formula:
C26H35N3O
M.W.:
405.59
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.75
Polar Surface Area:
46.92
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5269105 Name:
[2-[4-(1,1-dimethylpentyl)-2,6-dimethoxy-phenyl]-6,6-dimethyl-4-bicyclo[3.1Show More⌵
Mol. Formula:
C25H38O3
M.W.:
386.58
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.85
Polar Surface Area:
38.69
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5196846 Name:
2-Cyclohexyl-5-(hexyldimethylsilyl)-3-methoxyphenol
Mol. Formula:
C21H36O2Si
M.W.:
348.60
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5205772 Name:
5-bromo-1-(5-(4-((5-bromo-3-(cycloheptanecarboxamido)-4-methyl-2-oxopyridinShow More⌵
Mol. Formula:
C36H49Br2N7O4
M.W.:
803.64
Type:
---
AlogP:
7.02
Polar Surface Area:
132.91
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5205332 Name:
5-(Butyldimethylsilyl)-2-cyclopentylbenzene-1,3-diol
Mol. Formula:
C17H28O2Si
M.W.:
292.50
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5205138 Name:
(1,1,2,2,3,3-hexadeuterio-3-(^18F)fluoranyl-propyl)-2-ethyl-2-[[6-[[(1S,2S)Show More⌵
Mol. Formula:
C24H36FN3O6
M.W.:
486.60
Type:
---
AlogP:
2.12
Polar Surface Area:
110.22
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5204553 Name:
(1'R,2'R)-4-(Hexyldimethylsilyl)-5'-methyl-2'-(prop-1-en-2-yl)-1',2',3',4'-Show More⌵
Mol. Formula:
C24H38O2Si
M.W.:
386.65
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5204014 Name:
2-Cycloheptyl-5-(hexyldimethylsilyl)benzene-1,3-diol
Mol. Formula:
C21H36O2Si
M.W.:
348.60
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5202948 Name:
((1S,4S,5S)-4-(4-(hexyldimethylsilyl)-2,6-dimethoxyphenyl)-6,6-dimethylbicyShow More⌵
Mol. Formula:
C26H42O3Si
M.W.:
430.71
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5200844 Name:
(6aR,10aR)-3-(Hexyldimethylsilyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-Show More⌵
Mol. Formula:
C24H38O2Si
M.W.:
386.65
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5208097 Name:
N-(3-(tert-butyl)isoxazol-5-yl)-2-(4-(trifluoromethyl)phenyl)pyrazolidine-1Show More⌵
Mol. Formula:
C18H21F3N4O2
M.W.:
382.39
Type:
---
AlogP:
4.65
Polar Surface Area:
61.61
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA5195978 Name:
5-(Butyldimethylsilyl)-2-cycloheptylbenzene-1,3-diol
Mol. Formula:
C19H32O2Si
M.W.:
320.55
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5194443 Name:
3-(Hexyldimethylsilyl)-6,6,9-trimethyl-6H-benzo[c]chromen-1-ol
Mol. Formula:
C24H34O2Si
M.W.:
382.62
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5193683 Name:
2-Cycloheptyl-5-(hexyldimethylsilyl)-3-methoxyphenol
Mol. Formula:
C22H38O2Si
M.W.:
362.63
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5192756 Name:
3-(Butyldimethylsilyl)-9-(hydroxymethyl)-6,6-dimethyl-6H-benzo[c]chromen-1-Show More⌵
Mol. Formula:
C22H30O3Si
M.W.:
370.57
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5192105 Name:
(1'R,2'R)-4-(Butyldimethylsilyl)-5'-methyl-2'-(prop-1-en-2-yl)-1',2',3',4'-Show More⌵
Mol. Formula:
C22H34O2Si
M.W.:
358.60
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5190596 Name:
5-Butyl-2-[(1R,6R)-6-isopropenyl-3-methylcyclohex-2-en-1-yl]benzene-1,3-dioShow More⌵
Mol. Formula:
C20H28O2
M.W.:
300.44
Type:
---
AlogP:
5.46
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5189892 Name:
(6aR,10aR)-3-(Butyldimethylsilyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-Show More⌵
Mol. Formula:
C22H34O2Si
M.W.:
358.60
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5188683 Name:
((1S,4S,5S)-4-(4-(butyldimethylsilyl)-2,6-dimethoxyphenyl)-6,6-dimethylbicyShow More⌵
Mol. Formula:
C24H38O3Si
M.W.:
402.65
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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