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

Formula:C25H28N8O5 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4,6-dimorpholin-4-yl-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	4,6-dimorpholin-4-yl-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3,5-triazin-2-amine
MolecularFormula	C25H28N8O5
Smiles	[O-][N+](c1ccc(COc2c(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cccc2)cc1)=O
InChI	InChI=1S/C25H28N8O5/c34-33(35)21-7-5-19(6-8-21)18-38-22-4-2-1-3-20(22)17-26-30-23-27-24(31-9-13-36-14-10-31)29-25(28-23)32-11-15-37-16-12-32/h1-8,17H,9-16,18H2,(H,27,28,29,30)
InChIK	JHRUQQAMRAMBCW-UHFFFAOYSA-N
TotalMolweight	520.548
Molweight	520.548
MonoisotopicMass	520.218267
CLogP	3.5158
CLogS	-5.342
H Acceptors	13
H Donors	1
TotalSurfaceArea	396.39
Relative PSA	0.31131
PolarSurfaceArea	143.05
Druglikeness	-1.8712
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.52632
Fragments	1
Non HAtoms	38
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	13
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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