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ALA4514531 Name:
NA
Mol. Formula:
C19H16N4O5S
M.W.:
412.43
Type:
Unknown
AlogP:
1.91
Polar Surface Area:
130.31
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4475454 Name:
4-(4-((5-methyl-pyrimidine-2,4-dione-1-yl)methyl)-
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Mol. Formula:
C17H13N5O4
M.W.:
351.32
Type:
Unknown
AlogP:
0.58
Polar Surface Area:
115.78
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4475078 Name:
1-(2-(4-(4-Chlorobenzyl)piperazin-1-yl)-2-oxoethyl
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Mol. Formula:
C20H23ClN6O3
M.W.:
430.90
Type:
Unknown
AlogP:
0.43
Polar Surface Area:
85.37
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4537771 Name:
(E)-1-(4-aminophenyl)-3-(thiophen-2-yl)prop-2-en-1
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Cas Number:
184774-59-2
Mol. Formula:
C13H11NOS
M.W.:
229.30
Type:
Unknown
AlogP:
3.23
Polar Surface Area:
43.09
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4537567 Name:
1-(5-bromo-2-methoxyphenyl)-3-(4-(methylsulfonyl)p
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Mol. Formula:
C17H15BrO4S
M.W.:
395.27
Type:
Unknown
AlogP:
3.76
Polar Surface Area:
60.44
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4537246 Name:
3,7-Dimethyl-1-(2-oxo-2-thiomorpholinoethyl)-3,7-d
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Mol. Formula:
C13H17N5O3S
M.W.:
323.38
Type:
Unknown
AlogP:
-0.99
Polar Surface Area:
82.13
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4525080 Name:
4-(4-((2,6-dichloro-9H-purin-9-yl)methyl)-1H-1,2,3
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Mol. Formula:
C17H9Cl2N7O2
M.W.:
414.21
Type:
Unknown
AlogP:
2.87
Polar Surface Area:
104.52
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4524354 Name:
16-beta-(4-((2-amino-6-chloro-9H-purin-9-yl)methyl
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Mol. Formula:
C27H33ClN8O2
M.W.:
537.07
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
134.47
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4522300 Name:
3-(Benzo[d]thiazol-2-yl)-2-(N-2-dimethylaminoethyl
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Mol. Formula:
C19H19N5S
M.W.:
349.46
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
53.94
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4521823 Name:
(E)-1-(4-((1-benzyl-1H-1,2,3-triazol-4-yl)methoxy)
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Mol. Formula:
C28H27N3O5
M.W.:
485.54
Type:
Unknown
AlogP:
4.83
Polar Surface Area:
84.70
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4520055 Name:
(S,E)-2-(4-(3-(3-nitrophenyl)acryloyl)phenoxy)-N-(
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Mol. Formula:
C21H18N2O7
M.W.:
410.38
Type:
Unknown
AlogP:
2.30
Polar Surface Area:
124.84
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4535534 Name:
3-(1H-benzo[d]imidazol-2-yl)-2-(N-3-(1H-imidazol-1
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Mol. Formula:
C21H19N7
M.W.:
369.43
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
84.31
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4535268 Name:
(E)-1-(4-(((1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-
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Mol. Formula:
C23H19ClN4OS
M.W.:
434.95
Type:
Unknown
AlogP:
5.55
Polar Surface Area:
59.81
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4533668 Name:
16-beta-(4-((6-chloro-2-fluoro-9H-purin-9-yl)methy
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Mol. Formula:
C27H31ClFN7O2
M.W.:
540.04
Type:
Unknown
AlogP:
4.30
Polar Surface Area:
111.61
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4532349 Name:
16-beta-(4-((6-chloro-9H-purin-9-yl)methyl)-1H-1,2
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Mol. Formula:
C27H34ClN7O2
M.W.:
524.07
Type:
Unknown
AlogP:
4.24
Polar Surface Area:
111.61
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4561010 Name:
1-(2,6-dichlorophenyl)-5-(2-(6-methylquinazolin-4-
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Mol. Formula:
C26H18Cl2N2O2
M.W.:
461.35
Type:
Unknown
AlogP:
7.33
Polar Surface Area:
52.08
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4559316 Name:
(S,E)-2-(4-(3-(3-chlorophenyl)acryloyl)phenoxy)-N-
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Mol. Formula:
C21H18ClNO5
M.W.:
399.83
Type:
Unknown
AlogP:
3.05
Polar Surface Area:
81.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4559198 Name:
16beta-(4-((5-methyl-pyrimidine-2,4-dione-1-yl)met
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Mol. Formula:
C27H37N5O4
M.W.:
495.62
Type:
Unknown
AlogP:
2.61
Polar Surface Area:
122.87
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4558193 Name:
(S)-2-(4-isopropylphenylamino)-N-(2-oxotetrahydrof
Show More⌵
Mol. Formula:
C15H20N2O3
M.W.:
276.34
Type:
Unknown
AlogP:
1.65
Polar Surface Area:
67.43
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4557953 Name:
16-beta-(4-((6-chloro-9H-purin-9-yl)methyl)-1H-1,2
Show More⌵
Mol. Formula:
C27H32ClN7O2
M.W.:
522.05
Type:
Unknown
AlogP:
4.45
Polar Surface Area:
108.45
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
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