The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
ALA5287394 Name:
(6S)-N-benzyl-6-(4-hydroxybenzyl)-2-methyl-8-(naph
Show More⌵
Mol. Formula:
C33H35N5O3
M.W.:
549.68
Type:
---
AlogP:
4.20
Polar Surface Area:
79.36
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5286169 Name:
(4S)-3-(2-((1S,2S,5R,6R,8aR)-5-(((tert-butyldiphen
Show More⌵
Mol. Formula:
C36H48O6Si
M.W.:
604.86
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5283264 Name:
Ixocarpalactone A
Mol. Formula:
C28H40O8
M.W.:
504.62
Type:
---
AlogP:
1.37
Polar Surface Area:
136.82
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5282882 Name:
(6S)-N-benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-
Show More⌵
Mol. Formula:
C33H34N4O3
M.W.:
534.66
Type:
---
AlogP:
4.74
Polar Surface Area:
76.12
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5279880 Name:
5-(((4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4
Show More⌵
Mol. Formula:
C24H20N6O2S
M.W.:
456.53
Type:
---
AlogP:
4.99
Polar Surface Area:
91.75
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4789872 Name:
2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol
Show More⌵
Mol. Formula:
C23H22ClN3O3Se
M.W.:
502.86
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4551151 Name:
1-((6aR,11bR)-10-bromo-4-methoxy-6,6a,7,11b-tetrah
Show More⌵
Mol. Formula:
C28H26BrN3O2
M.W.:
516.44
Type:
Unknown
AlogP:
5.86
Polar Surface Area:
47.36
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4550136 Name:
4-(3-ethynylphenylamino)-6-fluoro-7-morpholinoquin
Show More⌵
Mol. Formula:
C20H17FN4O
M.W.:
348.38
Type:
Unknown
AlogP:
3.33
Polar Surface Area:
50.28
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4550134 Name:
4-(4-(E)-(propen-1-yl)phenylamino)-6-fluoro-7-(4-(
Show More⌵
Mol. Formula:
C24H28FN5O
M.W.:
421.52
Type:
Unknown
AlogP:
4.31
Polar Surface Area:
53.52
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4549879 Name:
7-[4-(9Z,12Z,15Z)-octadec-9,12,15-trienoyl-piperaz
Show More⌵
Mol. Formula:
C35H46FN3O4
M.W.:
591.77
Type:
Unknown
AlogP:
7.41
Polar Surface Area:
82.85
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5274830 Name:
(S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-te
Show More⌵
Mol. Formula:
C36H42N6O13
M.W.:
766.76
Type:
---
AlogP:
-0.64
Polar Surface Area:
259.07
HBA:
18
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5271596 Name:
Henryin
Mol. Formula:
C22H32O6
M.W.:
392.49
Type:
---
AlogP:
1.61
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5270172 Name:
Raddeanin A
Mol. Formula:
C47H76O16
M.W.:
897.11
Type:
---
AlogP:
2.37
Polar Surface Area:
254.52
HBA:
15
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5269764 Name:
Pinobanksin-3-acetate
Mol. Formula:
C17H14O6
M.W.:
314.29
Type:
---
AlogP:
2.35
Polar Surface Area:
93.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA5268050 Name:
1-(4-((2,3-dichlorophenyl)thio)-3-nitrocyclopenta-
Show More⌵
Mol. Formula:
C13H9Cl2NO3S
M.W.:
330.19
Type:
---
AlogP:
4.49
Polar Surface Area:
60.21
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5267289 Name:
(S)-4-((S)-2-((S)-3-(1H-indol-3-yl)-2-(2-(5-methyl
Show More⌵
Mol. Formula:
C34H39N5O9
M.W.:
661.71
Type:
---
AlogP:
2.19
Polar Surface Area:
208.78
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5267143 Name:
Tubesimoside
Mol. Formula:
C63H98O29
M.W.:
1319.45
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
---
AlogP:
4.80
Polar Surface Area:
122.37
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5208708 Name:
(R)-1-((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)-3-h
Show More⌵
Mol. Formula:
C22H18N4O2S
M.W.:
402.48
Type:
---
AlogP:
3.17
Polar Surface Area:
71.25
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5208140 Name:
(R)-1-((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)-3-h
Show More⌵
Mol. Formula:
C24H20N4O2
M.W.:
396.45
Type:
---
AlogP:
3.11
Polar Surface Area:
71.25
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description