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

Formula:C24H27N8O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(E)-[5-(2-chloro-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-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormula	C24H27N8O3Cl
Smiles	[O-][N+](c(cc1)cc(Cl)c1-c1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1)=O
InChI	InChI=1S/C24H27ClN8O3/c25-20-15-17(33(34)35)7-9-19(20)21-10-8-18(36-21)16-26-30-22-27-23(31-11-3-1-4-12-31)29-24(28-22)32-13-5-2-6-14-32/h7-10,15-16H,1-6,11-14H2,(H,27,28,29,30)
InChIK	WLLBJROJKURDJV-UHFFFAOYSA-N
TotalMolweight	510.984
Molweight	510.984
MonoisotopicMass	510.189464
CLogP	6.0406
CLogS	-7.975
H Acceptors	11
H Donors	1
TotalSurfaceArea	385.26
Relative PSA	0.27906
PolarSurfaceArea	128.5
Druglikeness	-0.76526
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	10
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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