1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide

Formula:C18H14N9O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide
MolecularFormula	C18H14N9O3F
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2ccncc2)=O)c1COc(cc1)ccc1F
InChI	InChI=1S/C18H14FN9O3/c19-12-1-3-13(4-2-12)30-10-14-15(23-27-28(14)17-16(20)25-31-26-17)18(29)24-22-9-11-5-7-21-8-6-11/h1-9H,10H2,(H2,20,25)(H,24,29)
InChIK	XMQVBTJNXUIZKF-UHFFFAOYSA-N
TotalMolweight	423.367
Molweight	423.367
MonoisotopicMass	423.120364
CLogP	2.1974
CLogS	-2.312
H Acceptors	12
H Donors	2
TotalSurfaceArea	317.83
Relative PSA	0.43139
PolarSurfaceArea	159.23
Druglikeness	0.3808
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	6
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide

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