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MMsINC code: MMs00789480

Type: Neutral
Formula: C₁₈H₁₈N₂O₄

SMILES:

OC(=O)CCC(=O)Nc1ccc(cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C18H18N2O4/c21-16(10-11-17(22)23)20-15-8-6-14(7-9-15)18(24)19-12-13-4-2-1-3-5-13/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)=50.4486 kcal/mol

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

Topological Properties
Globularity: 0.0299777	Sterimol/B1: 2.25707	Sterimol/B2: 3.60358	Sterimol/B3: 3.7279
Sterimol/B4: 6.14926	Sterimol/L: 20.8383

Surface and Volume Properties
Accessible surface: 610.665	Positive charged surface: 361.817	Negative charged surface: 248.848	Volume: 310.875
Hydrophobic surface: 421.783	Hydrophilic surface: 188.882

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

MMs00789481
CHEMBRIDGE-ZINC04810956