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

Formula:C21H27N7O2 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormula	C21H27N7O2
Smiles	C1Oc(cc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc2)c2O1
InChI	InChI=1S/C21H27N7O2/c1-3-9-27(10-4-1)20-23-19(24-21(25-20)28-11-5-2-6-12-28)26-22-14-16-7-8-17-18(13-16)30-15-29-17/h7-8,13-14H,1-6,9-12,15H2,(H,23,24,25,26)
InChIK	BZVQKLFKXAARIV-UHFFFAOYSA-N
TotalMolweight	409.492
Molweight	409.492
MonoisotopicMass	409.222623
CLogP	6.0399
CLogS	-6.03
H Acceptors	9
H Donors	1
TotalSurfaceArea	316.98
Relative PSA	0.26178
PolarSurfaceArea	88
Druglikeness	2.4665
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	10
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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