[2-(4-methoxyanilino)-2-oxoethyl] 1,3-dioxo-2-propan-2-ylisoindole-5-carboxylate

Formula:C21H20N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-methoxyanilino)-2-oxoethyl] 1,3-dioxo-2-propan-2-ylisoindole-5-carboxylate is a drug-like molecule.

MolName	[2-(4-methoxyanilino)-2-oxoethyl] 1,3-dioxo-2-propan-2-ylisoindole-5-carboxylate
MolecularFormula	C21H20N2O6
Smiles	CC(C)N(C(c(cc1)c2cc1C(OCC(Nc(cc1)ccc1OC)=O)=O)=O)C2=O
InChI	InChI=1S/C21H20N2O6/c1-12(2)23-19(25)16-9-4-13(10-17(16)20(23)26)21(27)29-11-18(24)22-14-5-7-15(28-3)8-6-14/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIK	NHLYHIPSSPKROE-UHFFFAOYSA-N
TotalMolweight	396.398
Molweight	396.398
MonoisotopicMass	396.132138
CLogP	2.3946
CLogS	-3.736
H Acceptors	8
H Donors	1
TotalSurfaceArea	295.32
Relative PSA	0.29517
PolarSurfaceArea	102.01
Druglikeness	2.305
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	3
Amides	2
StereoCon

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