1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide

Formula:C26H22N8O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide
MolecularFormula	C26H22N8O4
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2OCc2ccccc2)=O)c1COc1ccccc1
InChI	InChI=1S/C26H22N8O4/c27-24-25(32-38-31-24)34-22(17-37-20-9-5-2-6-10-20)23(29-33-34)26(35)30-28-15-18-11-13-21(14-12-18)36-16-19-7-3-1-4-8-19/h1-15H,16-17H2,(H2,27,31)(H,30,35)
InChIK	WNRDVNWUALHSKK-UHFFFAOYSA-N
TotalMolweight	510.513
Molweight	510.513
MonoisotopicMass	510.176402
CLogP	4.4456
CLogS	-4.134
H Acceptors	12
H Donors	2
TotalSurfaceArea	396.24
Relative PSA	0.34358
PolarSurfaceArea	155.57
Druglikeness	1.7208
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	4
Symmetricatoms	6
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide

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