The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
ALA4874925 Name:
(2E)-1-(5-Hydroxy-7-methoxy-2-methyl-2-(4-methylpe
Show More⌵
Mol. Formula:
C26H28O5
M.W.:
420.51
Type:
Unknown
AlogP:
5.91
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4868903 Name:
6-Prenylnaringenin C
Cas Number:
170900-13-7
Mol. Formula:
C20H18O5
M.W.:
338.36
Type:
Unknown
AlogP:
3.99
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4865912 Name:
(2E)-1-(5-Hydroxy-7-methoxy-2,2-dimethyl-2H-chrome
Show More⌵
Mol. Formula:
C22H22O5
M.W.:
366.41
Type:
Unknown
AlogP:
4.49
Polar Surface Area:
64.99
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4862947 Name:
(2E)-3-(Benzo[d][1,3]dioxol-6-yl)-1-(5-hydroxy-7-m
Show More⌵
Mol. Formula:
C22H20O6
M.W.:
380.40
Type:
Unknown
AlogP:
4.21
Polar Surface Area:
74.22
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA1094366 Name:
(-)-(S)-1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-N5-
Show More⌵
Mol. Formula:
C42H40N2O8
M.W.:
700.79
Type:
Small molecule
AlogP:
7.58
Polar Surface Area:
179.58
HBA:
8
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4861182 Name:
Isoxanthohumol C
Mol. Formula:
C21H20O5
M.W.:
352.39
Type:
Unknown
AlogP:
4.29
Polar Surface Area:
64.99
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA5197144 Name:
Necrosulfonamide
Mol. Formula:
C18H15N5O4S2
M.W.:
429.48
Type:
---
AlogP:
4.23
Polar Surface Area:
119.28
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
Type:
---
AlogP:
5.25
Polar Surface Area:
95.50
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4852770 Name:
8-Prenylnaringenin C
Mol. Formula:
C20H18O5
M.W.:
338.36
Type:
Unknown
AlogP:
3.99
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4531011 Name:
2-(3-Benzyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]
Show More⌵
Cas Number:
853136-76-2
Mol. Formula:
C28H31N5O3S2
M.W.:
549.72
Type:
Unknown
AlogP:
4.49
Polar Surface Area:
93.26
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4437830 Name:
2-(3-Benzyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]
Show More⌵
Mol. Formula:
C29H32N4O3S2
M.W.:
548.73
Type:
Unknown
AlogP:
5.98
Polar Surface Area:
90.02
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4174370 Name:
4-(3-(6-(Cyclopropanecarbonyl)-2,6-diazaspiro[3.4]
Show More⌵
Mol. Formula:
C26H25FN4O3
M.W.:
460.51
Type:
Small molecule
AlogP:
2.74
Polar Surface Area:
86.37
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4173393 Name:
4-(3-(6-(Cyclopropanecarbonyl)-2,6-diazaspiro[3.3]
Show More⌵
Mol. Formula:
C25H23FN4O3
M.W.:
446.48
Type:
Small molecule
AlogP:
2.35
Polar Surface Area:
86.37
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4173312 Name:
4-(4-Fluoro-3-(2,7-diazaspiro[4.4]nonane-2-carbony
Show More⌵
Mol. Formula:
C23H23FN4O2
M.W.:
406.46
Type:
Small molecule
AlogP:
2.48
Polar Surface Area:
78.09
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4171907 Name:
Microcionamide D
Mol. Formula:
C45H73N7O7S2
M.W.:
888.25
Type:
Small molecule
AlogP:
4.94
Polar Surface Area:
203.70
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4170291 Name:
4-(4-Fluoro-3-(2,8-diazaspiro[4.5]decane-2-carbony
Show More⌵
Mol. Formula:
C24H25FN4O2
M.W.:
420.49
Type:
Small molecule
AlogP:
2.87
Polar Surface Area:
78.09
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4169555 Name:
4-(4-Fluoro-3-(2-oxa-6-azaspiro[3.3]heptane-6-carb
Show More⌵
Mol. Formula:
C21H18FN3O3
M.W.:
379.39
Type:
Small molecule
AlogP:
2.13
Polar Surface Area:
75.29
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4167820 Name:
4-(4-Fluoro-3-(2,7-diazaspiro[3.5]nonane-2-carbony
Show More⌵
Mol. Formula:
C23H23FN4O2
M.W.:
406.46
Type:
Small molecule
AlogP:
2.48
Polar Surface Area:
78.09
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4166463 Name:
4-(4-Fluoro-3-(2,6-diazaspiro[3.4]octane-6-carbony
Show More⌵
Mol. Formula:
C22H21FN4O2
M.W.:
392.43
Type:
Small molecule
AlogP:
2.09
Polar Surface Area:
78.09
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4166130 Name:
4-(4-Fluoro-3-(2,6-diazaspiro[3.3]heptane-2-carbon
Show More⌵
Mol. Formula:
C21H19FN4O2
M.W.:
378.41
Type:
Small molecule
AlogP:
1.70
Polar Surface Area:
78.09
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description