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MMsINC code: MMs02789204

Type: Ionized
Formula: C₂₀H₂₁N₂O₄-

SMILES:

O=C(Nc1ccccc1C(=O)[O-])c1cc(C)c(NC(=O)C(C)(C)C)cc1

InChI:

InChI=1/C20H22N2O4/c1-12-11-13(9-10-15(12)22-19(26)20(2,3)4)17(23)21-16-8-6-5-7-14(16)18(24)25/h5-11H,1-4H3,(H,21,23)(H,22,26)(H,24,25)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9295 kcal/mol

Physical Properties
Molecular Weight: 353.398 g/mol	logS: -4.55995	SlogP: 2.59542	Reactive groups: 0

Topological Properties
Globularity: 0.0252545	Sterimol/B1: 2.37546	Sterimol/B2: 3.03897	Sterimol/B3: 4.13096
Sterimol/B4: 8.2091	Sterimol/L: 18.9809

Surface and Volume Properties
Accessible surface: 614.762	Positive charged surface: 340.321	Negative charged surface: 274.441	Volume: 342.625
Hydrophobic surface: 438.631	Hydrophilic surface: 176.131

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs02789203
PUBCHEM-ZINC01215507