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ALA4483481 Name:
6-chloro-4-ethoxy-3-methyl-4-phenyl-3,4-dihydroqui
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Mol. Formula:
C17H17ClN2OS
M.W.:
332.86
Type:
Unknown
AlogP:
4.22
Polar Surface Area:
24.50
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4476701 Name:
3'-((1-Hydroxy-3-methyl-2,6-dioxo-1,2,3,6-tetrahyd
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Mol. Formula:
C18H13N3O4
M.W.:
335.32
Type:
Unknown
AlogP:
2.12
Polar Surface Area:
97.25
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4476571 Name:
3-Fluoro-N-(3-hydroxy-2,4-dioxo-1,2,3,4-tetrahydro
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Mol. Formula:
C15H10FN3O4
M.W.:
315.26
Type:
Unknown
AlogP:
1.32
Polar Surface Area:
104.19
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4476130 Name:
(R)-1-(6-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropa
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Mol. Formula:
C28H34N6O3
M.W.:
502.62
Type:
Unknown
AlogP:
2.41
Polar Surface Area:
158.89
HBA:
4
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4475877 Name:
6-((2',4'-Dimethoxy-[1,1'-biphenyl]-3-yl)amino)-3-
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Mol. Formula:
C18H17N3O5
M.W.:
355.35
Type:
Unknown
AlogP:
2.20
Polar Surface Area:
105.58
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4475543 Name:
6-(3,5-Dimethylbenzoyl)-3-hydroxypyrimidine-2,4(1H
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Mol. Formula:
C13H12N2O4
M.W.:
260.25
Type:
Unknown
AlogP:
0.62
Polar Surface Area:
92.16
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4474601 Name:
(S)-1-((R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2
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Mol. Formula:
C22H23N5O2
M.W.:
389.46
Type:
Unknown
AlogP:
1.73
Polar Surface Area:
129.79
HBA:
3
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4540166 Name:
6-((2',4'-Dimethoxy-[1,1'-biphenyl]-4-yl)amino)-3-
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Mol. Formula:
C19H19N3O5
M.W.:
369.38
Type:
Unknown
AlogP:
2.21
Polar Surface Area:
94.72
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4540163 Name:
3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-o-
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Mol. Formula:
C24H31N3O2
M.W.:
393.53
Type:
Unknown
AlogP:
3.50
Polar Surface Area:
36.02
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4539295 Name:
(R)-1-(2-((R)-1-amino-3-(1H-indol-3-yl)-1-oxopropa
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Mol. Formula:
C24H26N6O3
M.W.:
446.51
Type:
Unknown
AlogP:
0.85
Polar Surface Area:
158.89
HBA:
4
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4537227 Name:
6-(4'-Fluoro-3'-methyl-[1,1'-biphenyl]-4-carbonyl)
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Mol. Formula:
C18H13FN2O4
M.W.:
340.31
Type:
Unknown
AlogP:
2.12
Polar Surface Area:
92.16
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4535894 Name:
3-Hydroxy-6-((2'-methoxy-[1,1'-biphenyl]-3-yl)oxy)
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Mol. Formula:
C18H16N2O5
M.W.:
340.34
Type:
Unknown
AlogP:
2.25
Polar Surface Area:
82.69
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4520839 Name:
((20S)-20-carbamoyl-3,6,9,12,15,18,22-heptaoxo-8,1
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Mol. Formula:
C37H41N15O10
M.W.:
855.83
Type:
Unknown
AlogP:
-6.13
Polar Surface Area:
382.57
HBA:
15
HBD:
11
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4519998 Name:
1-ethyl-7-(naphthalen-1-yloxy)-1,3-dihydro-2H-benz
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Mol. Formula:
C19H16N2O2
M.W.:
304.35
Type:
Unknown
AlogP:
4.30
Polar Surface Area:
47.02
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4534645 Name:
(R)-1-((S)-4-amino-1-((R)-1-amino-3-(1H-indol-3-yl
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Mol. Formula:
C26H29N7O4
M.W.:
503.56
Type:
Unknown
AlogP:
0.09
Polar Surface Area:
201.98
HBA:
5
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4534109 Name:
6-((4'-Chloro-[1,1'-biphenyl]-4-yl)oxy)-3-hydroxy-
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Mol. Formula:
C17H13ClN2O4
M.W.:
344.75
Type:
Unknown
AlogP:
2.90
Polar Surface Area:
73.46
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4533325 Name:
1-benzyl-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-5,6,
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Mol. Formula:
C27H22N4O3
M.W.:
450.50
Type:
Unknown
AlogP:
5.69
Polar Surface Area:
101.82
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4532735 Name:
6-((4'-Chloro-[1,1'-biphenyl]-2-yl)oxy)-3-hydroxy-
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Mol. Formula:
C17H13ClN2O4
M.W.:
344.75
Type:
Unknown
AlogP:
2.90
Polar Surface Area:
73.46
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4531566 Name:
6-((4'-Fluoro-[1,1'-biphenyl]-3-yl)amino)-3-hydrox
Show More⌵
Mol. Formula:
C16H12FN3O3
M.W.:
313.29
Type:
Unknown
AlogP:
2.32
Polar Surface Area:
87.12
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4531433 Name:
3-Hydroxy-6-((4'-methoxy-[1,1'-biphenyl]-4-yl)oxy)
Show More⌵
Mol. Formula:
C18H16N2O5
M.W.:
340.34
Type:
Unknown
AlogP:
2.25
Polar Surface Area:
82.69
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
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