[3-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate

Formula:C25H27N7O4 Mutagenic:high Tumorigenic:high Reproductive Effective:high [3-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName	[3-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate
MolecularFormula	C25H27N7O4
Smiles	O=C(c1ccccc1)Oc1cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1
InChI	InChI=1S/C25H27N7O4/c33-22(20-6-2-1-3-7-20)36-21-8-4-5-19(17-21)18-26-30-23-27-24(31-9-13-34-14-10-31)29-25(28-23)32-11-15-35-16-12-32/h1-8,17-18H,9-16H2,(H,27,28,29,30)
InChIK	LGSCANMPYGERSL-UHFFFAOYSA-N
TotalMolweight	489.534
Molweight	489.534
MonoisotopicMass	489.212453
CLogP	5.031
CLogS	-5.011
H Acceptors	11
H Donors	1
TotalSurfaceArea	376.71
Relative PSA	0.28144
PolarSurfaceArea	114.3
Druglikeness	3.0321
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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