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ALA1082611 Name:
(2S)-(4-[3-(3,4-Difluorophenyl)-2,2-dioxido-2,1,3-
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Mol. Formula:
C17H19F2N3O3S
M.W.:
383.42
Type:
Small molecule
AlogP:
2.14
Polar Surface Area:
72.88
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA1086035 Name:
(2S)-(4-[3-(2-Chlorophenyl)-2,2-dioxido-2,1,3-benz
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Mol. Formula:
C17H20ClN3O3S
M.W.:
381.89
Type:
Small molecule
AlogP:
2.51
Polar Surface Area:
72.88
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA1082459 Name:
(2R)-(4-[3-(2-Chlorophenyl)-2,2-dioxido-2,1,3-benz
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Mol. Formula:
C17H20ClN3O3S
M.W.:
381.89
Type:
Small molecule
AlogP:
2.51
Polar Surface Area:
72.88
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA1083408 Name:
(2R)-4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol
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Mol. Formula:
C17H21N3O3S
M.W.:
347.44
Type:
Small molecule
AlogP:
1.86
Polar Surface Area:
72.88
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA1083083 Name:
4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad
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Mol. Formula:
C17H20FN3O3S
M.W.:
365.43
Type:
Small molecule
AlogP:
2.00
Polar Surface Area:
72.88
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA1085831 Name:
4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad
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Mol. Formula:
C17H20FN3O2S
M.W.:
349.43
Type:
Small molecule
AlogP:
3.03
Polar Surface Area:
52.65
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA1099212 Name:
(-)-R-1-(1-(3-chlorophenyl)-2-(4-methylpiperazin-1
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Mol. Formula:
C19H30ClN3
M.W.:
335.92
Type:
Small molecule
AlogP:
3.33
Polar Surface Area:
32.50
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA1099179 Name:
(+)-S-1-(1-(3-chlorophenyl)-2-(4-methylpiperazin-1
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Mol. Formula:
C19H29ClN2O
M.W.:
336.91
Type:
Small molecule
AlogP:
3.37
Polar Surface Area:
26.71
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA1099178 Name:
(-)-R-1-(1-(5-chlorothiophen-3-yl)-2-(4-methylpipe
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Mol. Formula:
C17H27ClN2OS
M.W.:
342.94
Type:
Small molecule
AlogP:
3.43
Polar Surface Area:
26.71
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA1095850 Name:
(+)-S-1-(1-(5-chlorothiophen-3-yl)-2-(4-methylpipe
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Mol. Formula:
C17H27ClN2OS
M.W.:
342.94
Type:
Small molecule
AlogP:
3.43
Polar Surface Area:
26.71
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA4547192 Name:
1-(3-(5-Benzhydryl-1H-tetrazol-1-yl)propyl)-4-(2-f
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Mol. Formula:
C28H28F4N6
M.W.:
524.57
Type:
Unknown
AlogP:
5.22
Polar Surface Area:
50.08
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5271116 Name:
methyl (1R,2S,3S,5S)-3-(3,4-dichlorophenyl)-8-oxab
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Mol. Formula:
C15H16Cl2O3
M.W.:
315.20
Type:
---
AlogP:
3.82
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4560378 Name:
5-[(Benzhydrylsulfinyl)methyl]-2-methoxythiazole
Mol. Formula:
C18H17NO2S2
M.W.:
343.47
Type:
Unknown
AlogP:
4.19
Polar Surface Area:
45.18
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4559266 Name:
1-(3-(5-Benzhydryl-1H-tetrazol-1-yl)propyl)-4-(2,6
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Mol. Formula:
C29H34N6
M.W.:
466.63
Type:
Unknown
AlogP:
4.68
Polar Surface Area:
50.08
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4558778 Name:
1-(3-(5-Benzhydryl-1H-tetrazol-1-yl)propyl)-4-(3-f
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Mol. Formula:
C27H29FN6
M.W.:
456.57
Type:
Unknown
AlogP:
4.20
Polar Surface Area:
50.08
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4558014 Name:
5-({(R)-[(S)-(4-Fluorophenyl)(phenyl)methyl]sulfin
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Mol. Formula:
C17H14FNOS2
M.W.:
331.44
Type:
Unknown
AlogP:
4.32
Polar Surface Area:
35.95
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4557158 Name:
1-(4-(5-Benzhydryl-1H-tetrazol-1-yl)butyl)-4-(2-ch
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Mol. Formula:
C28H31ClN6
M.W.:
487.05
Type:
Unknown
AlogP:
5.11
Polar Surface Area:
50.08
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4555101 Name:
1-(2-((1-(3-Amino-1H-1,2,4-triazol-5-yl)piperidin-
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Mol. Formula:
C19H29ClN8O
M.W.:
420.95
Type:
Unknown
AlogP:
1.48
Polar Surface Area:
115.20
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4554733 Name:
2-(4-(4-(5-Benzhydryl-1H-tetrazol-1-yl)butyl)piper
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Mol. Formula:
C26H30N8
M.W.:
454.58
Type:
Unknown
AlogP:
3.25
Polar Surface Area:
75.86
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4552525 Name:
5-({(S)-[(S)-(4-Methylphenyl)(phenyl)methyl]sulfin
Show More⌵
Mol. Formula:
C18H17NOS2
M.W.:
327.47
Type:
Unknown
AlogP:
4.49
Polar Surface Area:
35.95
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
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