The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
Type:
Small molecule
AlogP:
1.13
Polar Surface Area:
61.72
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3731835 Name:
(3-p-Tolyloxyphenylamino)-acetic acid [1-pyridin-4
Show More⌵
Mol. Formula:
C21H20N4O2
M.W.:
360.42
Type:
Small molecule
AlogP:
3.74
Polar Surface Area:
75.61
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3730425 Name:
N-(2-Morpholin-4-yl-ethyl)-3-{[1-pyridin-4-yl-meth
Show More⌵
Mol. Formula:
C21H26N6O3
M.W.:
410.48
Type:
Small molecule
AlogP:
0.71
Polar Surface Area:
107.95
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3729453 Name:
3-{[1-Pyridin-4-yl-meth-(E)-ylidene-hydrazinocarbo
Show More⌵
Mol. Formula:
C15H15N5O2
M.W.:
297.32
Type:
Small molecule
AlogP:
0.74
Polar Surface Area:
109.47
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3732113 Name:
4-{[1-(3,5-Dichloropyridin-4-yl)-meth-(E)-ylidene-
Show More⌵
Mol. Formula:
C15H13Cl2N5O2
M.W.:
366.21
Type:
Small molecule
AlogP:
2.05
Polar Surface Area:
109.47
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4519772 Name:
Dizocilpine; ((+)-5-methyl-10,11-dihydro-5H-dibenz
Show More⌵
Mol. Formula:
C20H19NO4
M.W.:
337.38
Type:
Unknown
AlogP:
3.15
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA3350340 Name:
(S)-1-(4-Bromo-2,5-dimethoxy-benzyl)-propylamine h
Show More⌵
Mol. Formula:
C12H19BrClNO2
M.W.:
324.65
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
44.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA3350339 Name:
(S)-1-(4-Ethyl-2,5-dimethoxy-benzyl)-propylamine h
Show More⌵
Mol. Formula:
C14H24ClNO2
M.W.:
273.80
Type:
Small molecule
AlogP:
2.55
Polar Surface Area:
44.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3277365 Name:
1-[2-oxo-5-benzimidazolyl]-2-isopropylaminoethanol
Mol. Formula:
C12H15N3O2
M.W.:
233.27
Type:
Small molecule
AlogP:
0.09
Polar Surface Area:
74.05
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3277278 Name:
1-(2-chlorophenoxy)-3-(1-(phenylthio)propan-2-ylam
Show More⌵
Mol. Formula:
C20H24ClNO6S
M.W.:
441.93
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
41.49
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3277277 Name:
1-phenoxy-3-(2-(phenylthio)propylamino)propan-2-ol
Show More⌵
Mol. Formula:
C20H25NO6S
M.W.:
407.49
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
41.49
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA3277276 Name:
1-phenoxy-3-(3-(phenylthio)butan-2-ylamino)propan-
Show More⌵
Mol. Formula:
C21H27NO6S
M.W.:
421.52
Type:
Small molecule
AlogP:
3.59
Polar Surface Area:
41.49
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3277275 Name:
1-(2-methyl-1-(phenylsulfinyl)propan-2-ylamino)-3-
Show More⌵
Mol. Formula:
C21H27NO7S
M.W.:
437.51
Type:
Small molecule
AlogP:
2.60
Polar Surface Area:
64.55
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3277274 Name:
1-(2-methyl-1-(phenylthio)propan-2-ylamino)-3-phen
Show More⌵
Mol. Formula:
C21H27NO6S
M.W.:
421.52
Type:
Small molecule
AlogP:
3.59
Polar Surface Area:
41.49
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3277273 Name:
1-phenoxy-3-(1-(phenylthio)propan-2-ylamino)propan
Show More⌵
Mol. Formula:
C20H25NO6S
M.W.:
407.49
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
41.49
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA3277272 Name:
1-(3-(isopropylthio)propylamino)-3-phenoxypropan-2
Show More⌵
Mol. Formula:
C17H27NO6S
M.W.:
373.47
Type:
Small molecule
AlogP:
2.55
Polar Surface Area:
41.49
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3277271 Name:
1-(3-(2,2-dimethylbutylthio)propylamino)-3-phenoxy
Show More⌵
Mol. Formula:
C20H33NO6S
M.W.:
415.55
Type:
Small molecule
AlogP:
3.58
Polar Surface Area:
41.49
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3277270 Name:
1-(2-(benzylthio)ethylamino)-3-(2-chlorophenoxy)pr
Show More⌵
Mol. Formula:
C18H23Cl2NO2S
M.W.:
388.36
Type:
Small molecule
AlogP:
3.60
Polar Surface Area:
41.49
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA3277269 Name:
1-(2-(benzylthio)ethylamino)-3-(o-tolyloxy)propan-
Show More⌵
Mol. Formula:
C19H26ClNO2S
M.W.:
367.94
Type:
Small molecule
AlogP:
3.26
Polar Surface Area:
41.49
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3277268 Name:
1-(2-(benzylthio)ethylamino)-3-(2-nitrophenoxy)pro
Show More⌵
Mol. Formula:
C18H22N2O4S
M.W.:
362.45
Type:
Small molecule
AlogP:
2.86
Polar Surface Area:
84.63
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description