N-[(Z)-anthracen-9-ylmethylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine

Formula:C27H28N6O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-anthracen-9-ylmethylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine is not a drug-like molecule.

MolName	N-[(Z)-anthracen-9-ylmethylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
MolecularFormula	C27H28N6O2
Smiles	C(COCC1)N1c1cc(N/N=C\c2c(cccc3)c3cc3ccccc23)nc(N2CCOCC2)n1
InChI	InChI=1S/C27H28N6O2/c1-3-7-22-20(5-1)17-21-6-2-4-8-23(21)24(22)19-28-31-25-18-26(32-9-13-34-14-10-32)30-27(29-25)33-11-15-35-16-12-33/h1-8,17-19H,9-16H2,(H,29,30,31)
InChIK	ZIBJMTUIEOATBN-UHFFFAOYSA-N
TotalMolweight	468.559
Molweight	468.559
MonoisotopicMass	468.227374
CLogP	6.0768
CLogS	-6.884
H Acceptors	8
H Donors	1
TotalSurfaceArea	359.64
Relative PSA	0.20023
PolarSurfaceArea	75.11
Druglikeness	3.2985
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.42857
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	10
Symmetricatoms	10
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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