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MMsINC code: MMs02625392

Type: Ionized
Formula: C₂₀H₁₃O₄-

SMILES:

Oc1ccc(cc1-c1ccccc1)C(=O)c1ccccc1C(=O)[O-]

InChI:

InChI=1/C20H14O4/c21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1-12,21H,(H,23,24)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2777 kcal/mol

Physical Properties
Molecular Weight: 317.32 g/mol	logS: -5.75197	SlogP: 2.6537	Reactive groups: 0

Topological Properties
Globularity: 0.105347	Sterimol/B1: 3.3079	Sterimol/B2: 3.58782	Sterimol/B3: 4.98861
Sterimol/B4: 5.17228	Sterimol/L: 16.557

Surface and Volume Properties
Accessible surface: 537.332	Positive charged surface: 262.518	Negative charged surface: 273.317	Volume: 298.5
Hydrophobic surface: 407.839	Hydrophilic surface: 129.493

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Parent related molecule:

MMs02625391
PUBCHEM-ZINC00001431