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ALA5094997 Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2
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Mol. Formula:
C186H291N53O37S
M.W.:
3893.77
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5094989 Name:
2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-1-phenyl
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Cas Number:
69463-59-8
Mol. Formula:
C11H11N3OS
M.W.:
233.30
Type:
Unknown
AlogP:
2.14
Polar Surface Area:
54.88
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA5094958 Name:
(4R)-4-[(8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)-4
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Mol. Formula:
C31H40Cl2N4O5
M.W.:
619.59
Type:
Unknown
AlogP:
4.27
Polar Surface Area:
125.20
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5094952 Name:
(2S)-1-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-
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Mol. Formula:
C21H21N3O6S
M.W.:
443.48
Type:
Unknown
AlogP:
0.73
Polar Surface Area:
109.27
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5094948 Name:
2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl)-N-(2
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Mol. Formula:
C25H28FN5O4S
M.W.:
513.60
Type:
Unknown
AlogP:
4.50
Polar Surface Area:
123.17
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5094945 Name:
5-allyl-N-(1,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(
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Mol. Formula:
C25H21F3N2O3
M.W.:
454.45
Type:
Unknown
AlogP:
5.36
Polar Surface Area:
71.19
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5094941 Name:
N-{[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]
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Mol. Formula:
C16H14F2N6O3
M.W.:
376.32
Type:
Unknown
AlogP:
0.26
Polar Surface Area:
118.01
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5094940 Name:
2-((7-amino-6-fluorobenzo[d]oxazol-2-yl)amino)-4-(
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Mol. Formula:
C26H23ClF4N8O2
M.W.:
590.97
Type:
Unknown
AlogP:
4.97
Polar Surface Area:
135.39
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5094936 Name:
N1-(7-((5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl
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Mol. Formula:
C29H32N8O
M.W.:
508.63
Type:
Unknown
AlogP:
4.77
Polar Surface Area:
107.01
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5094932 Name:
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl
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Mol. Formula:
C20H13F6N7OS
M.W.:
513.43
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
98.48
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5094931 Name:
N-[[5-(5-fluoro-2-hydroxy-phenyl)-1H-pyrazol-3-yl]
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Mol. Formula:
C18H13F4N3O3
M.W.:
395.31
Type:
Unknown
AlogP:
3.75
Polar Surface Area:
87.24
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5094925 Name:
N-(pyrimidin-4-ylmethyl)-6-(trifluoromethyl)-7H-py
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Mol. Formula:
C12H9F3N6
M.W.:
294.24
Type:
Unknown
AlogP:
2.38
Polar Surface Area:
79.38
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA5094918 Name:
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,
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Mol. Formula:
C26H29N3O7S
M.W.:
527.60
Type:
Unknown
AlogP:
1.17
Polar Surface Area:
108.85
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5094917 Name:
2-(2-(ethylsulfonamido)pyrimidin-4-yl)-2-methyl-N-
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Mol. Formula:
C21H21F3N6O3S
M.W.:
494.50
Type:
Unknown
AlogP:
3.63
Polar Surface Area:
126.83
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5094912 Name:
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl
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Mol. Formula:
C24H18F6N4O3
M.W.:
524.42
Type:
Unknown
AlogP:
6.45
Polar Surface Area:
82.18
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5094911 Name:
(R)-4-(ethylsulfonamido)-N-(4-methyl-6-(2-methylmo
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Mol. Formula:
C27H37N5O4S
M.W.:
527.69
Type:
Unknown
AlogP:
4.01
Polar Surface Area:
103.87
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5094909 Name:
4-((R)-2-hydroxy-1-methylethylsulfonamido)-N-(2-((
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Mol. Formula:
C26H36N6O5S
M.W.:
544.68
Type:
Unknown
AlogP:
2.46
Polar Surface Area:
136.99
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5094906 Name:
N-(1-(2,4-bis(trifluoromethyl)benzyl)-1H-pyrazol-4
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Mol. Formula:
C21H12ClF6N5O2
M.W.:
515.80
Type:
Unknown
AlogP:
5.92
Polar Surface Area:
85.84
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5094904 Name:
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulf
Show More⌵
Mol. Formula:
C27H37N5O3S
M.W.:
511.69
Type:
Unknown
AlogP:
4.76
Polar Surface Area:
103.43
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5094900 Name:
N-((2-(2-azaspiro[4.4]nonan-2-ylmethyl)-1H-indol-6
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Mol. Formula:
C27H29N5O2
M.W.:
455.56
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
82.50
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
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