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

Formula:C23H30N7O2Br Mutagenic:high Tumorigenic:high Reproductive Effective:high 4,6-bis(azepan-1-yl)-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	4,6-bis(azepan-1-yl)-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,3,5-triazin-2-amine
MolecularFormula	C23H30N7O2Br
Smiles	Brc1c(/C=N\Nc2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)cc2OCOc2c1
InChI	InChI=1S/C23H30BrN7O2/c24-18-14-20-19(32-16-33-20)13-17(18)15-25-29-21-26-22(30-9-5-1-2-6-10-30)28-23(27-21)31-11-7-3-4-8-12-31/h13-15H,1-12,16H2,(H,26,27,28,29)
InChIK	IHMYMVJUUQZCOL-UHFFFAOYSA-N
TotalMolweight	516.442
Molweight	516.442
MonoisotopicMass	515.164434
CLogP	7.4491
CLogS	-7.404
H Acceptors	9
H Donors	1
TotalSurfaceArea	363.13
Relative PSA	0.22851
PolarSurfaceArea	88
Druglikeness	-1.8575
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	15
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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