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ALA4514713 Name:
(S)-N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-
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Mol. Formula:
C20H29N3O3
M.W.:
359.47
Type:
Unknown
AlogP:
2.43
Polar Surface Area:
97.35
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4514216 Name:
tert-butyl 6-(5-(4-chlorophenyl)-4-methyl-3-(piper
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Mol. Formula:
C26H37ClN4O3
M.W.:
489.06
Type:
Unknown
AlogP:
5.54
Polar Surface Area:
76.46
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4513876 Name:
1-(4-chlorophenyl)-3-(3-(5-methylthiophen-3-yl)phe
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Mol. Formula:
C18H15ClN2OS
M.W.:
342.85
Type:
Unknown
AlogP:
6.02
Polar Surface Area:
41.13
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4513527 Name:
N-(biphenyl-4-ylmethyl)-3-(methoxymethyl)-1H-indol
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Mol. Formula:
C23H22N2O3S
M.W.:
406.51
Type:
Unknown
AlogP:
4.46
Polar Surface Area:
71.19
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4513477 Name:
1-(4-Chlorophenyl)-3-[5-(3-methoxyphenyl)thiophen-
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Mol. Formula:
C18H15ClN2O2S
M.W.:
358.85
Type:
Unknown
AlogP:
5.72
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4483721 Name:
1-(3,4-dichlorophenyl)-4,4-dimethyl-7-(2-methyloct
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Mol. Formula:
C27H32Cl2N2O2
M.W.:
487.47
Type:
Unknown
AlogP:
8.43
Polar Surface Area:
47.28
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4483617 Name:
N-(benzo[d]thiazol-2-yl)adamantane-1-carboxamide
Cas Number:
35871-25-1
Mol. Formula:
C18H20N2OS
M.W.:
312.44
Type:
Unknown
AlogP:
4.45
Polar Surface Area:
41.99
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4483556 Name:
rac-3-(2-Nitro-1-(thiophen-2-yl)ethyl)-2-phenyl-1H
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Mol. Formula:
C21H15N3O2S
M.W.:
373.44
Type:
Unknown
AlogP:
5.18
Polar Surface Area:
82.72
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4483407 Name:
3-(1-(3-Fluorophenyl)-2-nitroethyl)-2-phenyl-1H-in
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Mol. Formula:
C22H17FN2O2
M.W.:
360.39
Type:
Unknown
AlogP:
5.38
Polar Surface Area:
58.93
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4483342 Name:
6-Fluoro-2-(3-fluorophenyl)-3-(1-(4-fluorophenyl)-
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Mol. Formula:
C22H15F3N2O2
M.W.:
396.37
Type:
Unknown
AlogP:
5.66
Polar Surface Area:
58.93
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4483043 Name:
7-(1,1-Dimethylheptyl)-2-ethyl-2,4-dihydro-9-(2-hy
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Mol. Formula:
C25H38N2O3
M.W.:
414.59
Type:
Unknown
AlogP:
5.82
Polar Surface Area:
56.51
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4483033 Name:
N-(Adamantan-1-yl)-7-pentyl-7H-pyrrolo[2,3-b]pyrid
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Mol. Formula:
C23H31N3O
M.W.:
365.52
Type:
Unknown
AlogP:
4.88
Polar Surface Area:
46.92
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4476813 Name:
rac-2-(4-Chlorophenyl)-6-methyl-3-(2-nitro-1-(thio
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Mol. Formula:
C21H17ClN2O2S
M.W.:
396.90
Type:
Unknown
AlogP:
6.27
Polar Surface Area:
58.93
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4476795 Name:
N-(Cyclopropylmethyl)-2-(5-methoxy-2-methyl-1-(2-m
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Mol. Formula:
C22H31N3O3
M.W.:
385.51
Type:
Unknown
AlogP:
2.36
Polar Surface Area:
55.73
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4476642 Name:
(S)-N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pen
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Mol. Formula:
C19H28N4O2
M.W.:
344.46
Type:
Unknown
AlogP:
2.86
Polar Surface Area:
90.01
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4476491 Name:
N-Cyclohexyl({1-[8-(2-chlorophenyl)-9-(4-chlorophe
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Mol. Formula:
C28H31Cl2N7O2S
M.W.:
600.58
Type:
Unknown
AlogP:
5.51
Polar Surface Area:
105.04
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4476434 Name:
N-Methyl-4-[(1-pentyl-1H-indol-3-yl)carbonyl]napht
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Mol. Formula:
C26H26N2O2
M.W.:
398.51
Type:
Unknown
AlogP:
5.58
Polar Surface Area:
51.10
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4476276 Name:
N-{1-[8-(2-Chlorophenyl)-9-(1-methyl-1H-pyrazol-3-
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Mol. Formula:
C26H23ClF2N8O2S
M.W.:
585.04
Type:
Unknown
AlogP:
4.09
Polar Surface Area:
110.83
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4476184 Name:
9-bromo-13-heptyl-9,10-dihydro-9,10-[3,4]epipyrrol
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Mol. Formula:
C25H26BrNO2
M.W.:
452.39
Type:
Unknown
AlogP:
5.36
Polar Surface Area:
37.38
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4476181 Name:
N-(Biphenyl-4-ylmethyl)-5-bromo-1H-indole-2-sulfon
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Mol. Formula:
C21H17BrN2O2S
M.W.:
441.35
Type:
Unknown
AlogP:
5.08
Polar Surface Area:
61.96
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
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