1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-furan-3-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide

Formula:C17H14N8O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-furan-3-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-furan-3-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
MolecularFormula	C17H14N8O3S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cocc2)=O)c1CSc1ccccc1
InChI	InChI=1S/C17H14N8O3S/c18-15-16(23-28-22-15)25-13(10-29-12-4-2-1-3-5-12)14(20-24-25)17(26)21-19-8-11-6-7-27-9-11/h1-9H,10H2,(H2,18,22)(H,21,26)
InChIK	BHMNBXRQXOOMAC-UHFFFAOYSA-N
TotalMolweight	410.417
Molweight	410.417
MonoisotopicMass	410.090957
CLogP	2.8455
CLogS	-3.539
H Acceptors	11
H Donors	2
TotalSurfaceArea	309.9
Relative PSA	0.47673
PolarSurfaceArea	175.55
Druglikeness	2.0561
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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