The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
ALA5286471 Name:
2-(4-(tert-butyl)phenyl)-7,8-dihydro-5H-thiopyrano
Show More⌵
Mol. Formula:
C17H20N2OS
M.W.:
300.43
Type:
---
AlogP:
3.94
Polar Surface Area:
46.01
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.66
Polar Surface Area:
46.01
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA3736012 Name:
(rac)-2-(2-hydroxy-1,1-dimethyl-ethyl)-5-methyl-1,
Show More⌵
Mol. Formula:
C17H21NO3
M.W.:
287.36
Type:
Small molecule
AlogP:
2.30
Polar Surface Area:
62.32
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA3734991 Name:
(rac)-2-Isopropyl-5-methyl-1,2,4,10-tetrahydro-3-o
Show More⌵
Mol. Formula:
C16H19NO2
M.W.:
257.33
Type:
Small molecule
AlogP:
2.93
Polar Surface Area:
42.09
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.85
DETAILS
CLOSE
ALA3735517 Name:
(rac)-2-tert-butyl-1,2,4,10-tetrahydro-3-oxa-10-az
Show More⌵
Mol. Formula:
C16H19NO2
M.W.:
257.33
Type:
Small molecule
AlogP:
3.02
Polar Surface Area:
42.09
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA3734971 Name:
(rac)-2-(2-Hydroxy-1,1-dimethyl-ethyl)-1,2,4,10-te
Show More⌵
Mol. Formula:
C16H19NO3
M.W.:
273.33
Type:
Small molecule
AlogP:
1.99
Polar Surface Area:
62.32
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA3736145 Name:
(rac)-2-(1-Methanesulfonyl-pyrrolidin-3-yl)-1,2,4,
Show More⌵
Mol. Formula:
C17H20N2O4S
M.W.:
348.42
Type:
Small molecule
AlogP:
1.25
Polar Surface Area:
79.47
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA3735964 Name:
(rac)-2-[1-(Oxetane-3-carbonyl)-piperidin-4-yl]-1,
Show More⌵
Mol. Formula:
C21H24N2O4
M.W.:
368.43
Type:
Small molecule
AlogP:
1.85
Polar Surface Area:
71.63
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA3736005 Name:
(rac)-7-Isopropyl-5,7,8,9-tetrahydro-6-oxa-4,9-dia
Show More⌵
Mol. Formula:
C14H16N2O2
M.W.:
244.29
Type:
Small molecule
AlogP:
2.02
Polar Surface Area:
54.98
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.83
DETAILS
CLOSE
ALA3736494 Name:
(rac)-2-Isopropyl-1,2,4,10-tetrahydro-3-oxa-10-aza
Show More⌵
Mol. Formula:
C15H17NO2
M.W.:
243.31
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
42.09
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.84
DETAILS
CLOSE
ALA5277399 Name:
Mol. Formula:
C74H91N21O21
M.W.:
1610.67
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5276118 Name:
4-(5-(2-(5-(5-(methylsulfonyl)pyridin-2-yl)-4-(o-t
Show More⌵
Mol. Formula:
C26H19N7O3S
M.W.:
509.55
Type:
---
AlogP:
4.13
Polar Surface Area:
140.45
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5274581 Name:
N-[4-(4-cyanophenoxy)phenyl]-3-[(4-oxo-3H-quinazol
Show More⌵
Mol. Formula:
C24H18N4O3S
M.W.:
442.50
Type:
---
AlogP:
4.71
Polar Surface Area:
107.87
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5267871 Name:
Mol. Formula:
C47H74N18O15
M.W.:
1131.22
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5197192 Name:
Mol. Formula:
C45H60N18O17
M.W.:
1125.08
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5173796 Name:
Mol. Formula:
C41H62N18O15
M.W.:
1047.06
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5094543 Name:
N-(3-(5-(5-Ethoxypyridin-2-yl)-4-(pyridin-3-yl)-4H
Show More⌵
Mol. Formula:
C28H24N8O2
M.W.:
504.55
Type:
Unknown
AlogP:
3.67
Polar Surface Area:
120.60
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5094240 Name:
N-(trans-3-(5-(5-Cyclopropoxypyridin-2-yl)-4-(2-fl
Show More⌵
Mol. Formula:
C26H23FN6O2
M.W.:
470.51
Type:
Unknown
AlogP:
4.08
Polar Surface Area:
94.82
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5093991 Name:
N-(trans-3-(4-(2-Fluorophenyl)-5-(6-methylpyridin-
Show More⌵
Mol. Formula:
C27H21F2N7O
M.W.:
497.51
Type:
Unknown
AlogP:
4.54
Polar Surface Area:
98.48
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5093410 Name:
N-(trans-3-(5-(5-Ethoxypyridin-2-yl)-4-(2-fluoroph
Show More⌵
Mol. Formula:
C30H28FN7O2
M.W.:
537.60
Type:
Unknown
AlogP:
5.10
Polar Surface Area:
107.71
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description