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MMsINC code: MMs00702337

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

OC(=O)CCNC(=O)/C(/NC(=O)c1ccccc1)=C/c1ccccc1

InChI:

InChI=1/C19H18N2O4/c22-17(23)11-12-20-19(25)16(13-14-7-3-1-4-8-14)21-18(24)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,25)(H,21,24)(H,22,23)/b16-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.384 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -3.92061	SlogP: 2.0484	Reactive groups: 0

Topological Properties
Globularity: 0.0387431	Sterimol/B1: 2.70089	Sterimol/B2: 3.07297	Sterimol/B3: 3.83232
Sterimol/B4: 9.93954	Sterimol/L: 17.2961

Surface and Volume Properties
Accessible surface: 604.357	Positive charged surface: 334.143	Negative charged surface: 270.215	Volume: 320.625
Hydrophobic surface: 443.559	Hydrophilic surface: 160.798

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00702338
CHEMBRIDGE-ZINC02097710