The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
ALA5281610 Name:
Mol. Formula:
C22H25Cl2N3O2S
M.W.:
466.43
Type:
---
AlogP:
4.37
Polar Surface Area:
43.86
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5289078 Name:
(+)-Pentazocine
Mol. Formula:
C19H27NO
M.W.:
285.43
Type:
---
AlogP:
3.88
Polar Surface Area:
23.47
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA5276627 Name:
Mol. Formula:
C27H33N3O2
M.W.:
431.58
Type:
---
AlogP:
4.96
Polar Surface Area:
36.02
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5270567 Name:
Mol. Formula:
C26H31N3O2
M.W.:
417.55
Type:
---
AlogP:
4.57
Polar Surface Area:
36.02
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5270179 Name:
Mol. Formula:
C28H35N3O2
M.W.:
445.61
Type:
---
AlogP:
5.35
Polar Surface Area:
36.02
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5202041 Name:
(5aS,8aS)-7-(tetrahydro-2H-pyran-4-yl)-3-(4-(trifl
Show More⌵
Mol. Formula:
C19H21F3N4O2
M.W.:
394.40
Type:
---
AlogP:
2.90
Polar Surface Area:
52.41
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5190165 Name:
(5aS,8aS)-3-(2-chloro-4-(trifluoromethyl)phenyl)-7
Show More⌵
Mol. Formula:
C19H20ClF3N4O2
M.W.:
428.84
Type:
---
AlogP:
3.55
Polar Surface Area:
52.41
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5094130 Name:
rac-4-(4-(pyrrolidin-3-yl)phenyl)-7-(4-(trifluorom
Show More⌵
Mol. Formula:
C28H22F3NO2
M.W.:
461.48
Type:
Unknown
AlogP:
6.97
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5087295 Name:
4-(4-((1R,4R,6S)-2-Azabicydo[2.2.1]heptan-6-yl)phe
Show More⌵
Mol. Formula:
C30H24F3NO2
M.W.:
487.52
Type:
Unknown
AlogP:
7.36
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5085145 Name:
4-(4-((1R,2R,4R)-4-Amino-2-(hydroxymethyl)cyclopen
Show More⌵
Mol. Formula:
C30H26F3NO3
M.W.:
505.54
Type:
Unknown
AlogP:
6.70
Polar Surface Area:
83.55
HBA:
3
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5083773 Name:
4-(4-((1R,4R,6S)-3-oxo-2-azabicydo[2.2.1]heptan-6-
Show More⌵
Mol. Formula:
C30H22F3NO3
M.W.:
501.50
Type:
Unknown
AlogP:
6.88
Polar Surface Area:
66.40
HBA:
2
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5083619 Name:
4-(4-((1S,2S,4S)-4-Amino-2-(hydroxymethyl)cyclopen
Show More⌵
Mol. Formula:
C30H26F3NO3
M.W.:
505.54
Type:
Unknown
AlogP:
6.70
Polar Surface Area:
83.55
HBA:
3
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5079102 Name:
4-(4-((1R,55,8r)-8-Hydroxy-3-azabicyclo[3.2.1]octa
Show More⌵
Mol. Formula:
C31H26F3NO3
M.W.:
517.55
Type:
Unknown
AlogP:
6.71
Polar Surface Area:
69.56
HBA:
3
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5076678 Name:
4-(4-((1S,2S,4S)-4-Amino-2-carboxycyclopentyl)phen
Show More⌵
Mol. Formula:
C30H24F3NO4
M.W.:
519.52
Type:
Unknown
AlogP:
6.80
Polar Surface Area:
100.62
HBA:
3
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5076127 Name:
4-(4-((1R,4R,5R)-3-Oxo-2-azabicyclo[2.2.1]heptan-5
Show More⌵
Mol. Formula:
C30H22F3NO3
M.W.:
501.50
Type:
Unknown
AlogP:
6.88
Polar Surface Area:
66.40
HBA:
2
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4854018 Name:
2-(dimethylamino)-2-oxoethyl 4-(4-(1-acetylpiperid
Show More⌵
Mol. Formula:
C35H33F3N2O4
M.W.:
602.65
Type:
Unknown
AlogP:
7.16
Polar Surface Area:
66.92
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4574793 Name:
4-(4-(5-chloropyridin-2-yl)-1,4-diazepan-1-yl)-1-(
Show More⌵
Mol. Formula:
C20H23ClFN3O
M.W.:
375.88
Type:
Unknown
AlogP:
4.05
Polar Surface Area:
36.44
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4084057 Name:
N-(4-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-y
Show More⌵
Mol. Formula:
C22H26F3N3O4
M.W.:
453.46
Type:
Small molecule
AlogP:
4.88
Polar Surface Area:
76.87
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4079680 Name:
N-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-y
Show More⌵
Mol. Formula:
C20H22F3N3O4
M.W.:
425.41
Type:
Small molecule
AlogP:
4.10
Polar Surface Area:
76.87
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.38
Polar Surface Area:
40.62
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description