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ALA4877893 Name:
3-(2-(3-chloropyridin-4-yl)-1H-indol-5-yl)propanoi
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Mol. Formula:
C16H13ClN2O2
M.W.:
300.75
Type:
Unknown
AlogP:
3.90
Polar Surface Area:
65.98
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4874972 Name:
(2S,3S)-3-cyclopropyl-3-((R)-2-(1-((S)-1-(5-fluoro
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Mol. Formula:
C30H35F4NO4
M.W.:
549.61
Type:
Unknown
AlogP:
7.11
Polar Surface Area:
59.00
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4872298 Name:
3-(2-(2,6-dimethylphenyl)-1H-indol-5-yl)propanoic
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Mol. Formula:
C19H19NO2
M.W.:
293.37
Type:
Unknown
AlogP:
4.47
Polar Surface Area:
53.09
HBA:
1
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4869870 Name:
3-(2-(2,6-dichlorophenyl)-1H-indol-5-yl)propanoic
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Mol. Formula:
C17H13Cl2NO2
M.W.:
334.20
Type:
Unknown
AlogP:
5.16
Polar Surface Area:
53.09
HBA:
1
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4868676 Name:
3-(2-(4-chloro-2-(trifluoromethyl)phenyl)-1H-indol
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Mol. Formula:
C18H13ClF3NO2
M.W.:
367.75
Type:
Unknown
AlogP:
5.52
Polar Surface Area:
53.09
HBA:
1
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5287642 Name:
1-(3-((4-amino-6-((3-chloro-4-methylphenyl)amino)-
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Mol. Formula:
C22H23ClN6O3
M.W.:
454.92
Type:
---
AlogP:
3.87
Polar Surface Area:
115.49
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5287631 Name:
1-(3-((4-amino-6-((3-(methylsulfonyl)phenethyl)ami
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Mol. Formula:
C24H28N6O4S
M.W.:
496.59
Type:
---
AlogP:
2.53
Polar Surface Area:
140.40
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5287358 Name:
1-(3-((4-amino-6-((2-methoxyphenethyl)amino)-1,3,5
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Mol. Formula:
C24H28N6O3
M.W.:
448.53
Type:
---
AlogP:
3.13
Polar Surface Area:
115.49
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5287009 Name:
1-(3-((4-amino-6-(phenethylamino)-1,3,5-triazin-2-
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Mol. Formula:
C23H26N6O2
M.W.:
418.50
Type:
---
AlogP:
3.12
Polar Surface Area:
106.26
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5286962 Name:
1-(3-((4-amino-6-((3-chloro-4-methylphenyl)amino)-
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Mol. Formula:
C22H23ClN6O2
M.W.:
438.92
Type:
---
AlogP:
4.17
Polar Surface Area:
106.26
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5286873 Name:
6-(((2,2-dimethylchroman-6-yl)oxy)methyl)-N2-(p-to
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Mol. Formula:
C22H25N5O2
M.W.:
391.48
Type:
---
AlogP:
4.19
Polar Surface Area:
95.18
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5286632 Name:
1-(3-((4-amino-6-((3-chloro-4-methylphenyl)amino)-
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Mol. Formula:
C22H20ClF3N6O2
M.W.:
492.89
Type:
---
AlogP:
4.88
Polar Surface Area:
106.26
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5286544 Name:
7-((4-amino-6-((3,5-dichloro-4-methylphenyl)amino)
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Mol. Formula:
C21H17Cl2N5O3
M.W.:
458.31
Type:
---
AlogP:
4.81
Polar Surface Area:
116.16
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5285988 Name:
2-((2S,3S,4R)-1-(4-(((3R,4R)-1-(5-chloro-2-methoxy
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Mol. Formula:
C29H40ClN3O6
M.W.:
562.11
Type:
---
AlogP:
4.76
Polar Surface Area:
93.59
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5285725 Name:
1-(3-((4-amino-6-((2,4-dimethylphenethyl)amino)-1,
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Mol. Formula:
C25H30N6O2
M.W.:
446.56
Type:
---
AlogP:
3.74
Polar Surface Area:
106.26
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5285406 Name:
7-((4-amino-6-((1,3-dihydroisobenzofuran-5-yl)amin
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Mol. Formula:
C22H19N5O4
M.W.:
417.43
Type:
---
AlogP:
3.22
Polar Surface Area:
125.39
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5285139 Name:
1-(3-((4-amino-6-((2,5-dichlorophenethyl)amino)-1,
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Mol. Formula:
C23H24Cl2N6O2
M.W.:
487.39
Type:
---
AlogP:
4.43
Polar Surface Area:
106.26
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5285104 Name:
1-(3-((4-amino-6-((2,4-dichlorophenethyl)amino)-1,
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Mol. Formula:
C23H24Cl2N6O2
M.W.:
487.39
Type:
---
AlogP:
4.43
Polar Surface Area:
106.26
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5284985 Name:
7-((4-amino-6-(p-tolylamino)-1,3,5-triazin-2-yl)me
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Mol. Formula:
C21H19N5O3
M.W.:
389.42
Type:
---
AlogP:
3.50
Polar Surface Area:
116.16
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5284884 Name:
1-(3-((4-amino-6-((3-(pentafluoro-lambda6-sulfaney
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Mol. Formula:
C23H25F5N6O2S
M.W.:
544.55
Type:
---
AlogP:
5.78
Polar Surface Area:
106.26
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
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