2-[2-[(E)-[1-(4-nitrophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Formula:C25H18N4O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[2-[(E)-[1-(4-nitrophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-phenylacetamide is not a drug-like molecule.

MolName	2-[2-[(E)-[1-(4-nitrophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-phenylacetamide
MolecularFormula	C25H18N4O7
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cccc2)c2OCC(Nc2ccccc2)=O)=O)C1=O)=O
InChI	InChI=1S/C25H18N4O7/c30-22(26-17-7-2-1-3-8-17)15-36-21-9-5-4-6-16(21)14-20-23(31)27-25(33)28(24(20)32)18-10-12-19(13-11-18)29(34)35/h1-14H,15H2,(H,26,30)(H,27,31,33)
InChIK	FPVFYVJVHJZCKL-UHFFFAOYSA-N
TotalMolweight	486.439
Molweight	486.439
MonoisotopicMass	486.117551
CLogP	1.9562
CLogS	-5.639
H Acceptors	11
H Donors	2
TotalSurfaceArea	355.64
Relative PSA	0.33475
PolarSurfaceArea	150.63
Druglikeness	-0.31374
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	3
AcidicOxygens	1
StereoCon

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