4-amino-N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Formula:C20H26N8O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide is not a drug-like molecule.

MolName	4-amino-N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormula	C20H26N8O4
Smiles	Nc1nonc1C(N/N=C\c(c(N1CCCCC1)c1)cc([N+]([O-])=O)c1N1CCCCC1)=O
InChI	InChI=1S/C20H26N8O4/c21-19-18(24-32-25-19)20(29)23-22-13-14-11-17(28(30)31)16(27-9-5-2-6-10-27)12-15(14)26-7-3-1-4-8-26/h11-13H,1-10H2,(H2,21,25)(H,23,29)
InChIK	MAKFLEBJAZPJCO-UHFFFAOYSA-N
TotalMolweight	442.478
Molweight	442.478
MonoisotopicMass	442.207702
CLogP	2.1854
CLogS	-5.033
H Acceptors	12
H Donors	2
TotalSurfaceArea	337.59
Relative PSA	0.36983
PolarSurfaceArea	158.7
Druglikeness	0.8449
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	13
Symmetricatoms	4
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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