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

Formula:C18H22N8O4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4,6-dimorpholin-4-yl-N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	4,6-dimorpholin-4-yl-N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3,5-triazin-2-amine
MolecularFormula	C18H22N8O4
Smiles	[O-][N+](c1c(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cccc1)=O
InChI	InChI=1S/C18H22N8O4/c27-26(28)15-4-2-1-3-14(15)13-19-23-16-20-17(24-5-9-29-10-6-24)22-18(21-16)25-7-11-30-12-8-25/h1-4,13H,5-12H2,(H,20,21,22,23)
InChIK	HARWTXZZYCWJCR-UHFFFAOYSA-N
TotalMolweight	414.425
Molweight	414.425
MonoisotopicMass	414.176402
CLogP	2.1677
CLogS	-4.001
H Acceptors	12
H Donors	1
TotalSurfaceArea	312.87
Relative PSA	0.36245
PolarSurfaceArea	133.82
Druglikeness	-1.8712
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	10
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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