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ALA1088773 Name:
[4-(N-Methyl-N-[(3-carbamoylfuroxan-4-yl)methyl]-1
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Mol. Formula:
C9H18N4O10P2
M.W.:
404.21
Type:
Small molecule
AlogP:
-2.38
Polar Surface Area:
234.59
HBA:
8
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA1093785 Name:
[4-(N-Methyl-N-[(4-carbamoylfurazan-3-yl)methyl]-1
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Mol. Formula:
C9H18N4O9P2
M.W.:
388.21
Type:
Small molecule
AlogP:
-1.62
Polar Surface Area:
220.54
HBA:
8
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA1090497 Name:
[4-(N-Methyl-N-[(3-methylfuroxan-4-yl)methyl]-1-hy
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Mol. Formula:
C9H19N3O9P2
M.W.:
375.21
Type:
Small molecule
AlogP:
-1.17
Polar Surface Area:
191.50
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA1093147 Name:
[4-(N-Methyl-N-[(4-methylfurazan-3-yl)methyl]-1-hy
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Mol. Formula:
C9H19N3O8P2
M.W.:
359.21
Type:
Small molecule
AlogP:
-0.41
Polar Surface Area:
177.45
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1091027 Name:
(5-(3-Phenylsulfonylfuroxan-4-yloxy)-1-hydroxypent
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Mol. Formula:
C13H18N2O12P2S
M.W.:
488.30
Type:
Small molecule
AlogP:
-0.31
Polar Surface Area:
231.63
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
Type:
Small molecule
AlogP:
0.45
Polar Surface Area:
217.58
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA1091521 Name:
(5-(3-Phenylfuroxan-4-yloxy)-1-hydroxypentylidene)
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Mol. Formula:
C13H18N2O10P2
M.W.:
424.24
Type:
Small molecule
AlogP:
0.53
Polar Surface Area:
197.49
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA1091520 Name:
(5-(4-Phenylfurazan-3-yloxy)-1-hydroxypentylidene)
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Mol. Formula:
C13H18N2O9P2
M.W.:
408.24
Type:
Small molecule
AlogP:
1.29
Polar Surface Area:
183.44
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA1093436 Name:
5-(3-Phenylsulfonylfuroxan-4-yloxy)pentylidenebis(
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Mol. Formula:
C13H18N2O11P2S
M.W.:
472.31
Type:
Small molecule
AlogP:
0.37
Polar Surface Area:
211.40
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA1093435 Name:
5-(4-Phenylsulfonylfurazan-3-yloxy)pentylidenebis(
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Mol. Formula:
C13H18N2O10P2S
M.W.:
456.31
Type:
Small molecule
AlogP:
1.13
Polar Surface Area:
197.35
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA1093434 Name:
5-(3-Phenylfuroxan-4-yloxy)pentylidenebis(phosphon
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Mol. Formula:
C13H18N2O9P2
M.W.:
408.24
Type:
Small molecule
AlogP:
1.21
Polar Surface Area:
177.26
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
Type:
Small molecule
AlogP:
1.97
Polar Surface Area:
163.21
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3577852 Name:
4-acetamido-1-acetoxybutane-1,1-diyldiphosphonic a
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Mol. Formula:
C8H17NO9P2
M.W.:
333.17
Type:
Small molecule
AlogP:
-0.53
Polar Surface Area:
170.46
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA3577851 Name:
4-amino-1-(dimethoxyphosphoryl)-1-hydroxybutylphos
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Mol. Formula:
C6H17NO7P2
M.W.:
277.15
Type:
Small molecule
AlogP:
0.03
Polar Surface Area:
139.31
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3577850 Name:
4-amino-1-hydroxy-1-(hydroxy(methoxy)phosphoryl)bu
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Mol. Formula:
C5H15NO7P2
M.W.:
263.12
Type:
Small molecule
AlogP:
-0.62
Polar Surface Area:
150.31
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3577849 Name:
dichloro(hydroxy(methoxy)phosphoryl)methylphosphon
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Mol. Formula:
C2H6Cl2O6P2
M.W.:
258.92
Type:
Small molecule
AlogP:
1.08
Polar Surface Area:
104.06
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3577848 Name:
methyl hydrogen (dimethoxyphosphoryl)methylphospho
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Mol. Formula:
C4H12O6P2
M.W.:
218.08
Type:
Small molecule
AlogP:
1.26
Polar Surface Area:
82.06
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA3577847 Name:
dimethyl methylenebis(hydrogen phosphonate)
Mol. Formula:
C3H10O6P2
M.W.:
204.06
Type:
Small molecule
AlogP:
0.61
Polar Surface Area:
93.06
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3577846 Name:
(hydroxy(methoxy)phosphoryl)methylphosphonic acid
Mol. Formula:
C2H8O6P2
M.W.:
190.03
Type:
Small molecule
AlogP:
-0.05
Polar Surface Area:
104.06
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3577845 Name:
methyl hydrogen 1-(dimethoxyphosphoryl)-1-hydroxye
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Mol. Formula:
C5H14O7P2
M.W.:
248.11
Type:
Small molecule
AlogP:
0.97
Polar Surface Area:
102.29
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
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