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ALA5285331 Name:
5-(benzylideneamino)-6-methoxy-N4-phenylpyrimidine
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Mol. Formula:
C18H17N5O
M.W.:
319.37
Type:
---
AlogP:
3.56
Polar Surface Area:
85.42
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5283807 Name:
2-(((2-Amino-4-methoxy-6-(phenylamino)pyrimidin-5-
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Mol. Formula:
C18H17N5O2
M.W.:
335.37
Type:
---
AlogP:
3.27
Polar Surface Area:
105.65
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5282483 Name:
6-methoxy-5-((4-methylbenzylidene)amino)-N4-phenyl
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Mol. Formula:
C19H19N5O
M.W.:
333.40
Type:
---
AlogP:
3.87
Polar Surface Area:
85.42
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5282297 Name:
2-Amino-8-(4-bromophenyl)-9-phenyl-1,9-dihydro-6H-
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Mol. Formula:
C17H12BrN5O
M.W.:
382.22
Type:
---
AlogP:
3.12
Polar Surface Area:
89.59
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5281935 Name:
2-Amino-8-(benzo[d][1,3]dioxol-5-yl)-9-phenyl-1,9-
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Mol. Formula:
C18H13N5O3
M.W.:
347.33
Type:
---
AlogP:
2.09
Polar Surface Area:
108.05
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5291343 Name:
2-Amino-9-phenyl-8-(3,4,5-trimethoxyphenyl)-1,9-di
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Mol. Formula:
C20H19N5O4
M.W.:
393.40
Type:
---
AlogP:
2.38
Polar Surface Area:
117.28
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5289931 Name:
2-Amino-9-phenyl-8-(p-tolyl)-1,9-dihydro-6H-purin-
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Mol. Formula:
C18H15N5O
M.W.:
317.35
Type:
---
AlogP:
2.67
Polar Surface Area:
89.59
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5288242 Name:
6-methoxy-N4-phenyl-5-((4-(trifluoromethyl)benzyli
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Mol. Formula:
C19H16F3N5O
M.W.:
387.37
Type:
---
AlogP:
4.58
Polar Surface Area:
85.42
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA1089229 Name:
N-(3-Benzyl-2-cinnamylthio-4-oxo-3,4-dihydroquinaz
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Mol. Formula:
C33H27N3O2S
M.W.:
529.67
Type:
Small molecule
AlogP:
6.90
Polar Surface Area:
63.99
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA1161155 Name:
Adamantane-1-carboxylic acid (2,4-diamino-6-methyl
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Mol. Formula:
C18H29N5O4S
M.W.:
411.53
Type:
Small molecule
AlogP:
2.10
Polar Surface Area:
106.92
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3686070 Name:
US8835445, 39
Mol. Formula:
C21H22N6O2S
M.W.:
422.51
Type:
Small molecule
AlogP:
3.97
Polar Surface Area:
121.94
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3686069 Name:
US8835445, 38
Mol. Formula:
C15H14ClN5O
M.W.:
315.76
Type:
Small molecule
AlogP:
2.83
Polar Surface Area:
99.94
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA3686068 Name:
US8835445, 37
Mol. Formula:
C19H15N7O2
M.W.:
373.38
Type:
Small molecule
AlogP:
2.80
Polar Surface Area:
130.90
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5273429 Name:
6-methoxy-N4-phenyl-5-((pyridin-4-ylmethylene)amin
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Mol. Formula:
C17H16N6O
M.W.:
320.36
Type:
---
AlogP:
2.96
Polar Surface Area:
98.31
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5270228 Name:
2-Amino-8-(4-isopropylphenyl)-9-phenyl-1,9-dihydro
Show More⌵
Mol. Formula:
C20H19N5O
M.W.:
345.41
Type:
---
AlogP:
3.48
Polar Surface Area:
89.59
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5269398 Name:
2-Amino-8-(2-hydroxyphenyl)-9-phenyl-1,9-dihydro-6
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Mol. Formula:
C17H13N5O2
M.W.:
319.32
Type:
---
AlogP:
2.06
Polar Surface Area:
109.82
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4544130 Name:
(R/S)-5-((1-(2-Hydroxy-3-(9-oxoacridin-10(9H)-yl)p
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Mol. Formula:
C31H26N4O5
M.W.:
534.57
Type:
Unknown
AlogP:
3.60
Polar Surface Area:
104.85
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4581410 Name:
(9-Oxo-9,10-dihydroacridine-4-carbonyl)glycyl-L-al
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Mol. Formula:
C19H17N3O5
M.W.:
367.36
Type:
Unknown
AlogP:
1.00
Polar Surface Area:
128.36
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4569184 Name:
5-(4-(o-Tolyl)piperazin-1-yl)pyrimidine-2,4-diamin
Show More⌵
Mol. Formula:
C15H20N6
M.W.:
284.37
Type:
Unknown
AlogP:
1.28
Polar Surface Area:
84.30
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4467394 Name:
(R/S)-(Z)-10-(3-(3-((1-(3-Chlorophenyl)-3-methyl-5
Show More⌵
Mol. Formula:
C35H27ClN4O3
M.W.:
587.08
Type:
Unknown
AlogP:
6.63
Polar Surface Area:
79.83
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
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