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

Formula:C19H22N7O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dimorpholin-4-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-dimorpholin-4-yl-1,3,5-triazin-2-amine
MolecularFormula	C19H22N7O4Br
Smiles	Brc1c(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc2OCOc2c1
InChI	InChI=1S/C19H22BrN7O4/c20-14-10-16-15(30-12-31-16)9-13(14)11-21-25-17-22-18(26-1-5-28-6-2-26)24-19(23-17)27-3-7-29-8-4-27/h9-11H,1-8,12H2,(H,22,23,24,25)
InChIK	JTTHAPMQJKAWGV-UHFFFAOYSA-N
TotalMolweight	492.333
Molweight	492.333
MonoisotopicMass	491.091664
CLogP	4.4371
CLogS	-5.086
H Acceptors	11
H Donors	1
TotalSurfaceArea	328.09
Relative PSA	0.31388
PolarSurfaceArea	106.46
Druglikeness	1.4281
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	12
Electronegative Atoms	12
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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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

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