The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
ALA5267410 Name:
3-(4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl)-6-bromo-2-phenylquinazShow More⌵
Mol. Formula:
C26H19BrClN5O
M.W.:
532.83
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
6.07
Polar Surface Area:
86.69
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5184260 Name:
1,1'-(9H-xanthene-2,7-diyl)bis(2-(dimethylamino)ethan-1-one)
Mol. Formula:
C21H24N2O3
M.W.:
352.43
Type:
---
AlogP:
2.87
Polar Surface Area:
49.85
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4798123 Name:
N-(Adamantan-1-yl)-1-((1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)mShow More⌵
Mol. Formula:
C20H31NO3S
M.W.:
365.54
Type:
Unknown
AlogP:
3.27
Polar Surface Area:
63.24
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4794434 Name:
(1R,5S)-N-(Adamantan-1-yl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxamiShow More⌵
Mol. Formula:
C20H29NO
M.W.:
299.46
Type:
Unknown
AlogP:
4.06
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4789170 Name:
N-(((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)adamantane-1-caShow More⌵
Mol. Formula:
C21H31NO
M.W.:
313.49
Type:
Unknown
AlogP:
4.31
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4787036 Name:
N-Adamantan-1-yl-2,2-diphenyl-acetamide
Mol. Formula:
C24H27NO
M.W.:
345.49
Type:
Unknown
AlogP:
4.90
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4777797 Name:
(1R,5S)-N-(adamantan-2-yl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxamiShow More⌵
Mol. Formula:
C20H29NO
M.W.:
299.46
Type:
Unknown
AlogP:
3.92
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4764761 Name:
N-(3,7-dimethyloctyl)adamantane-2-carboxamide
Mol. Formula:
C21H37NO
M.W.:
319.53
Type:
Unknown
AlogP:
5.03
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4762951 Name:
N-((1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)adamantane-1-carboxaShow More⌵
Mol. Formula:
C21H33NO
M.W.:
315.50
Type:
Unknown
AlogP:
4.53
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4761483 Name:
N-(Adamantan-2-yl)-1-((1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)mShow More⌵
Mol. Formula:
C20H31NO3S
M.W.:
365.54
Type:
Unknown
AlogP:
3.13
Polar Surface Area:
63.24
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4759505 Name:
N-(2-((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl)adamantane-1-cShow More⌵
Mol. Formula:
C22H33NO
M.W.:
327.51
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4758977 Name:
N-(2-((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl)adamantane-2-cShow More⌵
Mol. Formula:
C22H33NO
M.W.:
327.51
Type:
Unknown
AlogP:
4.56
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4755507 Name:
N-(1-adamantyl)-3,7-dimethyl-oct-6-enamide
Mol. Formula:
C20H33NO
M.W.:
303.49
Type:
Unknown
AlogP:
4.84
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4753749 Name:
N-((E)-3,7-Dimethylocta-2,6-dien-1-yl)adamantane-1-carboxamide
Mol. Formula:
C21H33NO
M.W.:
315.50
Type:
Unknown
AlogP:
5.01
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4752293 Name:
N-(2-((R)-2,2,3-Trimethylcyclopent-3-en-1-yl)ethyl)adamantane-1-carboxamide
Mol. Formula:
C21H33NO
M.W.:
315.50
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4752180 Name:
N-((S)-3,7-Dimethyloct-6-en-1-yl)adamantane-1-carboxamide
Mol. Formula:
C21H35NO
M.W.:
317.52
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4751564 Name:
1H-indole-2,3-dione 3-(N-2-adamantylthiosemicarbazone)
Mol. Formula:
C19H22N4OS
M.W.:
354.48
Type:
Unknown
AlogP:
2.63
Polar Surface Area:
65.52
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4750107 Name:
N-(2-adamantyl)-3,7-dimethyl-oct-6-enamide
Mol. Formula:
C20H33NO
M.W.:
303.49
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4748821 Name:
N-(((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)adamantane-2-caShow More⌵
Mol. Formula:
C21H31NO
M.W.:
313.49
Type:
Unknown
AlogP:
4.17
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4745723 Name:
N-(2-((R)-2,2,3-Trimethylcyclopent-3-en-1-yl)ethyl)adamantane-2-carboxamide
Mol. Formula:
C21H33NO
M.W.:
315.50
Type:
Unknown
AlogP:
4.56
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description