The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
ALA4251415 Name:
Methyl 2-{4-[4-(3-benzamidopropoxy)-3-(4-methylpen
Show More⌵
Mol. Formula:
C29H40N2O5
M.W.:
496.65
Type:
Small molecule
AlogP:
4.48
Polar Surface Area:
93.73
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4242434 Name:
Ethyl 4-(4-((5-nitrofuran-2-yl)methylene)-3-oxopyr
Show More⌵
Mol. Formula:
C17H15N3O6
M.W.:
357.32
Type:
Small molecule
AlogP:
2.30
Polar Surface Area:
114.92
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4239727 Name:
methyl 2-{4-[4-(3-acetamidopropoxy)-3-(4-methylpen
Show More⌵
Mol. Formula:
C24H38N2O5
M.W.:
434.58
Type:
Small molecule
AlogP:
3.18
Polar Surface Area:
93.73
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA2235015 Name:
1-(2,6-Difluorophenyl)-3-(6-trifluoromethoxybenzot
Show More⌵
Mol. Formula:
C15H8F5N3O2S
M.W.:
389.31
Type:
Small molecule
AlogP:
5.12
Polar Surface Area:
63.25
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA2235013 Name:
1-(4-methoxyphenyl)-3-(6-(trifluoromethoxy)benzo[d
Show More⌵
Mol. Formula:
C16H12F3N3O3S
M.W.:
383.35
Type:
Small molecule
AlogP:
4.85
Polar Surface Area:
72.48
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2235012 Name:
1-(4-Fluorophenyl)-3-(6-trifluoromethoxybenzothiaz
Show More⌵
Mol. Formula:
C15H9F4N3O2S
M.W.:
371.32
Type:
Small molecule
AlogP:
4.98
Polar Surface Area:
63.25
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA2235011 Name:
4-Acetylamino-N-(6-trifluoromethoxybenzothiazol-2-
Show More⌵
Mol. Formula:
C17H12F3N3O3S
M.W.:
395.36
Type:
Small molecule
AlogP:
4.41
Polar Surface Area:
80.32
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2235010 Name:
2,6-Difluoro-N-(6-trifluoromethoxybenzothiazol-2-y
Show More⌵
Mol. Formula:
C15H7F5N2O2S
M.W.:
374.29
Type:
Small molecule
AlogP:
4.73
Polar Surface Area:
51.22
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2235009 Name:
4-Cyano-N-(6-trifluoromethoxybenzothiazol-2-yl)ben
Show More⌵
Mol. Formula:
C16H8F3N3O2S
M.W.:
363.32
Type:
Small molecule
AlogP:
4.32
Polar Surface Area:
75.01
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA2235008 Name:
4-Methoxy-N-(6-trifluoromethoxybenzothiazol-2-yl)b
Show More⌵
Mol. Formula:
C16H11F3N2O3S
M.W.:
368.34
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
60.45
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA2235007 Name:
4-Fluoro-N-(6-trifluoromethoxybenzothiazol-2-yl)be
Show More⌵
Mol. Formula:
C15H8F4N2O2S
M.W.:
356.30
Type:
Small molecule
AlogP:
4.59
Polar Surface Area:
51.22
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA2235006 Name:
1-(2,6-Difluorophenyl)-3-(6-methoxybenzothiazol-2-
Show More⌵
Mol. Formula:
C15H11F2N3O2S
M.W.:
335.34
Type:
Small molecule
AlogP:
4.23
Polar Surface Area:
63.25
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA2235005 Name:
1-(4-Cyanophenyl)-3-(6-methoxybenzothiazol-2-yl)ur
Show More⌵
Mol. Formula:
C16H12N4O2S
M.W.:
324.37
Type:
Small molecule
AlogP:
3.82
Polar Surface Area:
87.04
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA2235004 Name:
1-(4-Methoxyphenyl)-3-(6-methoxybenzothiazol-2-yl)
Show More⌵
Mol. Formula:
C16H15N3O3S
M.W.:
329.38
Type:
Small molecule
AlogP:
3.96
Polar Surface Area:
72.48
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA2235003 Name:
1-(4-Fluorophenyl)-3-(6-methoxybenzothiazol-2-yl)u
Show More⌵
Mol. Formula:
C15H12FN3O2S
M.W.:
317.35
Type:
Small molecule
AlogP:
4.09
Polar Surface Area:
63.25
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA2235002 Name:
4-Acetylamino-N-(6-methoxybenzothiazol-2-yl)benzam
Show More⌵
Mol. Formula:
C17H15N3O3S
M.W.:
341.39
Type:
Small molecule
AlogP:
3.52
Polar Surface Area:
80.32
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA2235001 Name:
2,6-Difluoro-N-(6-methoxybenzothiazol-2-yl)benzami
Show More⌵
Cas Number:
325988-77-0
Mol. Formula:
C15H10F2N2O2S
M.W.:
320.32
Type:
Small molecule
AlogP:
3.84
Polar Surface Area:
51.22
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA2046774 Name:
panepophenanthrine
Cas Number:
409064-57-9
Mol. Formula:
C22H28O8
M.W.:
420.46
Type:
Small molecule
AlogP:
-0.56
Polar Surface Area:
132.28
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA2046773 Name:
himeic acid A
Mol. Formula:
C22H29NO8
M.W.:
435.47
Type:
Small molecule
AlogP:
3.23
Polar Surface Area:
150.98
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA519800 Name:
panepophenanthrin
Mol. Formula:
C22H28O8
M.W.:
420.46
Type:
Small molecule
AlogP:
-0.56
Polar Surface Area:
132.28
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description