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ALA189263 Name:
6-Hydrazino-[1,3,5]triazine-2,4-diamine
Cas Number:
10409-76-4
Mol. Formula:
C3H7N7
M.W.:
141.14
Type:
Small molecule
AlogP:
-1.68
Polar Surface Area:
128.76
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA189260 Name:
6-(N'-Furan-2-ylmethylene-hydrazino)-[1,3,5]triazi
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Mol. Formula:
C8H9N7O
M.W.:
219.21
Type:
Small molecule
AlogP:
0.07
Polar Surface Area:
128.24
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA365846 Name:
N,N-Dimethyl-6-[N'-(5-nitro-furan-2-ylmethylene)-h
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Mol. Formula:
C10H12N8O3
M.W.:
292.26
Type:
Small molecule
AlogP:
0.47
Polar Surface Area:
148.60
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA193294 Name:
6-[N'-(3-Nitro-benzylidene)-hydrazino]-[1,3,5]tria
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Mol. Formula:
C10H10N8O2
M.W.:
274.24
Type:
Small molecule
AlogP:
0.39
Polar Surface Area:
158.24
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA364229 Name:
N,N,N',N'-Tetramethyl-6-[N'-(5-nitro-furan-2-ylmet
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Mol. Formula:
C12H16N8O3
M.W.:
320.31
Type:
Small molecule
AlogP:
0.95
Polar Surface Area:
125.82
HBA:
10
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA193320 Name:
6-[N'-(5-Nitro-furan-2-ylmethylene)-hydrazino]-[1,
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Mol. Formula:
C8H8N8O3
M.W.:
264.21
Type:
Small molecule
AlogP:
-0.02
Polar Surface Area:
171.38
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA191788 Name:
6-[N'-(5-Nitro-thiophen-2-ylmethylene)-hydrazino]-
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Mol. Formula:
C8H8N8O2S
M.W.:
280.27
Type:
Small molecule
AlogP:
0.45
Polar Surface Area:
158.24
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA372890 Name:
5-[(4,6-Diamino-[1,3,5]triazin-2-yl)-hydrazonometh
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Mol. Formula:
C9H8N8O
M.W.:
244.22
Type:
Small molecule
AlogP:
-0.05
Polar Surface Area:
152.03
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA362928 Name:
N-Methyl-6-[N'-(5-nitro-furan-2-ylmethylene)-hydra
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Mol. Formula:
C9H10N8O3
M.W.:
278.23
Type:
Small molecule
AlogP:
0.44
Polar Surface Area:
157.39
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA371369 Name:
6-[N'-(4-Nitro-benzylidene)-hydrazino]-[1,3,5]tria
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Mol. Formula:
C10H10N8O2
M.W.:
274.24
Type:
Small molecule
AlogP:
0.39
Polar Surface Area:
158.24
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA192405 Name:
6-(N'-Thiophen-2-ylmethylene-hydrazino)-[1,3,5]tri
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Mol. Formula:
C8H9N7S
M.W.:
235.28
Type:
Small molecule
AlogP:
0.54
Polar Surface Area:
115.10
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA190734 Name:
[1-(5-Nitro-furan-2-yl)-meth-(E)-ylidene]-hydrazin
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Cas Number:
112537-97-0
Mol. Formula:
C5H5N3O3
M.W.:
155.11
Type:
Small molecule
AlogP:
0.48
Polar Surface Area:
94.66
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA192482 Name:
6-[N'-(2-Nitro-benzylidene)-hydrazino]-[1,3,5]tria
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Mol. Formula:
C10H10N8O2
M.W.:
274.24
Type:
Small molecule
AlogP:
0.39
Polar Surface Area:
158.24
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA364747 Name:
N,N'-Dimethyl-6-[N'-(5-nitro-furan-2-ylmethylene)-
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Mol. Formula:
C10H12N8O3
M.W.:
292.26
Type:
Small molecule
AlogP:
0.90
Polar Surface Area:
143.40
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
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