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MMsINC code: MMs02670433

Type: Neutral
Formula: C₁₈H₁₈N₂O₄

SMILES:

OC(=O)CCC(=O)Nc1ccccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C18H18N2O4/c21-16(10-11-17(22)23)20-15-9-5-4-8-14(15)18(24)19-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,24)(H,20,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.5545 kcal/mol

Physical Properties
Molecular Weight: 326.352 g/mol	logS: -3.26068	SlogP: 2.6863	Reactive groups: 0

Topological Properties
Globularity: 0.0422449	Sterimol/B1: 3.51903	Sterimol/B2: 3.70046	Sterimol/B3: 4.00429
Sterimol/B4: 7.1841	Sterimol/L: 18.8803

Surface and Volume Properties
Accessible surface: 602.661	Positive charged surface: 359.165	Negative charged surface: 243.496	Volume: 307.75
Hydrophobic surface: 434.28	Hydrophilic surface: 168.381

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

MMs02670434
PUBCHEM-ZINC00386859