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MMsINC code: MMs02670441

Type: Neutral
Formula: C₁₈H₁₈N₂O₄

SMILES:

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

InChI:

InChI=1/C18H18N2O4/c1-12-6-2-4-8-14(12)20-18(24)13-7-3-5-9-15(13)19-16(21)10-11-17(22)23/h2-9H,10-11H2,1H3,(H,19,21)(H,20,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5903 kcal/mol

Physical Properties
Molecular Weight: 326.352 g/mol	logS: -3.47711	SlogP: 3.05062	Reactive groups: 0

Topological Properties
Globularity: 0.0228829	Sterimol/B1: 2.22387	Sterimol/B2: 3.62732	Sterimol/B3: 5.97212
Sterimol/B4: 5.97918	Sterimol/L: 16.7594

Surface and Volume Properties
Accessible surface: 585.711	Positive charged surface: 348.273	Negative charged surface: 237.438	Volume: 307.125
Hydrophobic surface: 435.381	Hydrophilic surface: 150.33

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

MMs02670442
PUBCHEM-ZINC00386865