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ALA4474445 Name:
6-isobutyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-
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Mol. Formula:
C12H14N4O
M.W.:
230.27
Type:
Unknown
AlogP:
1.40
Polar Surface Area:
73.95
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4538785 Name:
6-ethyl-7-oxo-5-(6-oxo-1,6-dihydropyridin-3-yl)-4,
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Mol. Formula:
C14H11N5O2
M.W.:
281.28
Type:
Unknown
AlogP:
0.81
Polar Surface Area:
106.81
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4536443 Name:
5-(4-((hexyl(methyl)amino)methyl)phenyl)-6-isoprop
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Mol. Formula:
C24H31N5O
M.W.:
405.55
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
77.19
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4522452 Name:
4-Hydroxy-3-(pyrrolidine-1-carbonyl)-1H-1,7-naphth
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Mol. Formula:
C13H13N3O3
M.W.:
259.26
Type:
Unknown
AlogP:
0.86
Polar Surface Area:
86.29
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4520731 Name:
6-ethyl-4,5-dimethyl-7-oxo-4,7-dihydropyrazolo[1,5
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Mol. Formula:
C11H12N4O
M.W.:
216.24
Type:
Unknown
AlogP:
0.78
Polar Surface Area:
63.09
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4520567 Name:
4-Hydroxy-N-isopropyl-2-oxo-1H-1,7-naphthyridine-3
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Mol. Formula:
C12H13N3O3
M.W.:
247.25
Type:
Unknown
AlogP:
0.77
Polar Surface Area:
95.08
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4557175 Name:
5-methyl-7-oxo-6-propyl-4,7-dihydropyrazolo[1,5-a]
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Mol. Formula:
C11H12N4O
M.W.:
216.24
Type:
Unknown
AlogP:
1.16
Polar Surface Area:
73.95
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4556977 Name:
5-(5-((hexyl(methyl)amino)methyl)thiophen-3-yl)-6-
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Mol. Formula:
C22H29N5OS
M.W.:
411.58
Type:
Unknown
AlogP:
4.76
Polar Surface Area:
77.19
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4551596 Name:
4-Hydroxy-1,7-naphthyridin-2(1H)-one
Cas Number:
54920-76-2
Mol. Formula:
C8H6N2O2
M.W.:
162.15
Type:
Unknown
AlogP:
0.63
Polar Surface Area:
65.98
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4570905 Name:
2-(4-(3-(hexyl(methyl)amino)propyl)-2,3-dioxo-3,4-
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Mol. Formula:
C20H29N3O4
M.W.:
375.47
Type:
Unknown
AlogP:
2.15
Polar Surface Area:
84.54
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4569410 Name:
9-oxo-4,5,6,7,8,9-hexahydroimidazo[5,1-b]quinazoli
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Mol. Formula:
C11H10N4O
M.W.:
214.23
Type:
Unknown
AlogP:
0.77
Polar Surface Area:
73.95
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4569318 Name:
N-Benzyl-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-ca
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Mol. Formula:
C16H13N3O3
M.W.:
295.30
Type:
Unknown
AlogP:
1.56
Polar Surface Area:
95.08
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4530774 Name:
2-amino-6-ethyl-5-methyl-7-oxo-4,7-dihydropyrazolo
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Mol. Formula:
C10H11N5O
M.W.:
217.23
Type:
Unknown
AlogP:
0.35
Polar Surface Area:
99.97
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4517696 Name:
4-(2-(dimethylamino)ethyl)-6-ethyl-5-methyl-7-oxo-
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Mol. Formula:
C14H19N5O
M.W.:
273.34
Type:
Unknown
AlogP:
0.80
Polar Surface Area:
66.33
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4578848 Name:
N-Ethyl-4-hydroxy-N-methyl-2-oxo-1H-1,7-naphthyrid
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Mol. Formula:
C12H13N3O3
M.W.:
247.25
Type:
Unknown
AlogP:
0.72
Polar Surface Area:
86.29
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4590347 Name:
5-Carboxy-2-hydroxy-acetanilide
Cas Number:
91004-38-5
Mol. Formula:
C9H9NO4
M.W.:
195.17
Type:
Unknown
AlogP:
1.05
Polar Surface Area:
86.63
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4586086 Name:
6-ethyl-7-oxo-5-o-tolyl-4,7-dihydropyrazolo[1,5-a]
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Cas Number:
1628214-07-2
Mol. Formula:
C16H14N4O
M.W.:
278.31
Type:
Unknown
AlogP:
2.43
Polar Surface Area:
73.95
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5281818 Name:
4-((2-(allyloxy)-3-methoxybenzyl)amino)-4H-1,2,4-t
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Mol. Formula:
C13H16N4O3
M.W.:
276.30
Type:
---
AlogP:
1.30
Polar Surface Area:
81.43
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5281316 Name:
isopropyl-2-((3-(4-(dimethylamino)but-2-enamido)ph
Show More⌵
Mol. Formula:
C31H41N5O4
M.W.:
547.70
Type:
---
AlogP:
4.78
Polar Surface Area:
99.79
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5280725 Name:
(2-methyl-4,7-dimethylene-4,7-dihydro-1H-benzo[d]i
Show More⌵
Mol. Formula:
C18H19N3
M.W.:
277.37
Type:
---
AlogP:
2.05
Polar Surface Area:
54.70
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.75
DETAILS
CLOSE
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