The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
ALA5207198 Name:
6-fluoro-2-((4-(1-hydroxyethyl)phenyl)amino)benzo[
Show More⌵
Mol. Formula:
C16H14FN3O2S
M.W.:
331.37
Type:
---
AlogP:
3.33
Polar Surface Area:
88.24
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
Type:
---
AlogP:
0.13
Polar Surface Area:
215.47
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5201988 Name:
4-(2,6-dichlorobenzyl)-2-(4-methoxyphenyl)-5-methy
Show More⌵
Mol. Formula:
C18H16Cl2N2O2
M.W.:
363.24
Type:
---
AlogP:
4.38
Polar Surface Area:
47.02
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5199759 Name:
6-(3-(4-(benzhydryloxy)piperidin-1-yl)propoxy)-[1,
Show More⌵
Mol. Formula:
C26H29N5O2
M.W.:
443.55
Type:
---
AlogP:
4.16
Polar Surface Area:
64.78
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5198022 Name:
6-fluoro-N-methyl-2-((4-(1-(methylamino)ethyl)phen
Show More⌵
Mol. Formula:
C18H19FN4OS
M.W.:
358.44
Type:
---
AlogP:
3.82
Polar Surface Area:
66.05
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5197543 Name:
2-((4-(1-(dimethylamino)ethyl)phenyl)amino)-6-fluo
Show More⌵
Mol. Formula:
C18H19FN4OS
M.W.:
358.44
Type:
---
AlogP:
3.90
Polar Surface Area:
71.25
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5196898 Name:
2-((pyridin-4-ylmethyl)amino)-5,6,7,8-tetrahydrobe
Show More⌵
Mol. Formula:
C16H16N4OS
M.W.:
312.40
Type:
---
AlogP:
2.87
Polar Surface Area:
70.67
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5191979 Name:
N-(4-(4-(benzhydryloxy)piperidin-1-yl)butyl)-[1,2,
Show More⌵
Mol. Formula:
C27H32N6O
M.W.:
456.59
Type:
---
AlogP:
4.59
Polar Surface Area:
67.58
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5189956 Name:
2-((4-(1-aminoethyl)phenyl)amino)-6-fluorobenzo[d]
Show More⌵
Mol. Formula:
C16H15FN4OS
M.W.:
330.39
Type:
---
AlogP:
3.30
Polar Surface Area:
94.03
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5187195 Name:
methyl 3-(2-nitro-4-(trifluoromethyl)phenylsulfona
Show More⌵
Mol. Formula:
C13H9F3N2O6S2
M.W.:
410.35
Type:
---
AlogP:
3.26
Polar Surface Area:
115.61
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5186947 Name:
N1-(3-carbamoylphenyl)-N5-((1-(1-phenylethyl)-1H-1
Show More⌵
Mol. Formula:
C23H26N6O3
M.W.:
434.50
Type:
---
AlogP:
2.41
Polar Surface Area:
132.00
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5181342 Name:
(S)-N1-(3-carbamoylphenyl)-N4-(6-(isopropylamino)-
Show More⌵
Mol. Formula:
C27H36N6O8S
M.W.:
604.69
Type:
---
AlogP:
1.88
Polar Surface Area:
219.70
HBA:
8
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5180081 Name:
2-(4-(((7-(cyclopentylamino)-5-fluoro-4-oxo-3,4-di
Show More⌵
Mol. Formula:
C40H49FN8O6S
M.W.:
788.95
Type:
---
AlogP:
4.30
Polar Surface Area:
185.70
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5180051 Name:
2-((((1r,4r)-4-hydroxycyclohexyl)thio)methyl)-8-me
Show More⌵
Mol. Formula:
C16H20N2O2S
M.W.:
304.42
Type:
---
AlogP:
2.77
Polar Surface Area:
65.98
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
Type:
---
AlogP:
3.39
Polar Surface Area:
75.21
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA5178541 Name:
2-(((1-methylpiperidin-4-yl)methyl)amino)-5,6,7,8-
Show More⌵
Mol. Formula:
C17H24N4OS
M.W.:
332.47
Type:
---
AlogP:
2.62
Polar Surface Area:
61.02
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA5177845 Name:
8-methyl-2-((pyridin-4-ylthio)methyl)quinazolin-4(
Show More⌵
Mol. Formula:
C15H13N3OS
M.W.:
283.36
Type:
---
AlogP:
2.92
Polar Surface Area:
58.64
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5176622 Name:
2-(4-(((7-(cyclopentylamino)-5-fluoro-3-methyl-4-o
Show More⌵
Mol. Formula:
C41H51FN8O6S
M.W.:
802.97
Type:
---
AlogP:
4.31
Polar Surface Area:
174.84
HBA:
12
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5171039 Name:
7-(cyclopentylamino)-5-fluoro-2-((piperidin-4-ylth
Show More⌵
Mol. Formula:
C19H25FN4OS
M.W.:
376.50
Type:
---
AlogP:
3.40
Polar Surface Area:
69.81
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4093441 Name:
(Z)-3-(4-(2-benzylpiperidin-1-yl)-4-oxobut-2-enami
Show More⌵
Mol. Formula:
C23H25N3O3
M.W.:
391.47
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
92.50
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description