3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide

Formula:C29H22N8O3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide is not a drug-like molecule.

MolName	3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide
MolecularFormula	C29H22N8O3
Smiles	Nc1nonc1-n1nnc(-c2ccccc2)c1C(N/N=C\c1cc(OCc2cccc3ccccc23)ccc1)=O
InChI	InChI=1S/C29H22N8O3/c30-27-28(35-40-34-27)37-26(25(32-36-37)21-10-2-1-3-11-21)29(38)33-31-17-19-8-6-14-23(16-19)39-18-22-13-7-12-20-9-4-5-15-24(20)22/h1-17H,18H2,(H2,30,34)(H,33,38)
InChIK	WSKLUNAVWYLXTI-UHFFFAOYSA-N
TotalMolweight	530.547
Molweight	530.547
MonoisotopicMass	530.181487
CLogP	5.9881
CLogS	-6.153
H Acceptors	11
H Donors	2
TotalSurfaceArea	407.08
Relative PSA	0.30987
PolarSurfaceArea	146.34
Druglikeness	1.7208
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	40
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	32
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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1 - 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide | 2 - 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide

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