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

Formula:C21H26N7O2Br Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormula	C21H26N7O2Br
Smiles	Brc1c(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc2OCOc2c1
InChI	InChI=1S/C21H26BrN7O2/c22-16-12-18-17(30-14-31-18)11-15(16)13-23-27-19-24-20(28-7-3-1-4-8-28)26-21(25-19)29-9-5-2-6-10-29/h11-13H,1-10,14H2,(H,24,25,26,27)
InChIK	CKBFIQQFRWYFOH-UHFFFAOYSA-N
TotalMolweight	488.388
Molweight	488.388
MonoisotopicMass	487.133134
CLogP	6.7651
CLogS	-6.864
H Acceptors	9
H Donors	1
TotalSurfaceArea	335.61
Relative PSA	0.24725
PolarSurfaceArea	88
Druglikeness	0.6765
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
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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