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

Formula:C24H28N8O3 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[5-(4-nitrophenyl)furan-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-(4-nitrophenyl)furan-2-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormula	C24H28N8O3
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1)=O
InChI	InChI=1S/C24H28N8O3/c33-32(34)19-9-7-18(8-10-19)21-12-11-20(35-21)17-25-29-22-26-23(30-13-3-1-4-14-30)28-24(27-22)31-15-5-2-6-16-31/h7-12,17H,1-6,13-16H2,(H,26,27,28,29)
InChIK	ITGQRXDFZKKNJK-UHFFFAOYSA-N
TotalMolweight	476.539
Molweight	476.539
MonoisotopicMass	476.228437
CLogP	5.4346
CLogS	-7.239
H Acceptors	11
H Donors	1
TotalSurfaceArea	369.84
Relative PSA	0.29069
PolarSurfaceArea	128.5
Druglikeness	-0.78917
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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