N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

Formula:C18H24N8O3 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormula	C18H24N8O3
Smiles	[O-][N+](c1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1)=O
InChI	InChI=1S/C18H24N8O3/c27-26(28)15-8-7-14(29-15)13-19-23-16-20-17(24-9-3-1-4-10-24)22-18(21-16)25-11-5-2-6-12-25/h7-8,13H,1-6,9-12H2,(H,20,21,22,23)
InChIK	VQYZZPLRCWHTKJ-UHFFFAOYSA-N
TotalMolweight	400.442
Molweight	400.442
MonoisotopicMass	400.197137
CLogP	4.0358
CLogS	-5.986
H Acceptors	11
H Donors	1
TotalSurfaceArea	310.08
Relative PSA	0.34672
PolarSurfaceArea	128.5
Druglikeness	0.68886
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	11
Symmetricatoms	10
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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