3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]triazole-4-carboxamide

Formula:C21H21N9O3 Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]triazole-4-carboxamide
MolecularFormula	C21H21N9O3
Smiles	Nc1nonc1-n1nnc(CN2CCOCC2)c1C(N/N=C\c1cccc2ccccc12)=O
InChI	InChI=1S/C21H21N9O3/c22-19-20(27-33-26-19)30-18(17(24-28-30)13-29-8-10-32-11-9-29)21(31)25-23-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,22,26)(H,25,31)
InChIK	MHPCRCBIEUBIPJ-UHFFFAOYSA-N
TotalMolweight	447.458
Molweight	447.458
MonoisotopicMass	447.176736
CLogP	2.5357
CLogS	-2.639
H Acceptors	12
H Donors	2
TotalSurfaceArea	339.4
Relative PSA	0.38212
PolarSurfaceArea	149.58
Druglikeness	2.4171
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	7
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	5
BasicNitrogens	1
StereoCon

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1 - 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]triazole-4-carboxamide | 2 - 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]triazole-4-carboxamide

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