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

Formula:C25H20N8O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide
MolecularFormula	C25H20N8O3
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cc(OCc3ccccc3)ccc2)=O)c1-c1ccccc1
InChI	InChI=1S/C25H20N8O3/c26-23-24(31-36-30-23)33-22(19-11-5-2-6-12-19)21(28-32-33)25(34)29-27-15-18-10-7-13-20(14-18)35-16-17-8-3-1-4-9-17/h1-15H,16H2,(H2,26,30)(H,29,34)
InChIK	RNNMIYQLNNRSPB-UHFFFAOYSA-N
TotalMolweight	480.487
Molweight	480.487
MonoisotopicMass	480.165837
CLogP	4.7937
CLogS	-4.547
H Acceptors	11
H Donors	2
TotalSurfaceArea	372.48
Relative PSA	0.33865
PolarSurfaceArea	146.34
Druglikeness	1.7208
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	5
StereoCon

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