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MMsINC code: MMs00024436

Type: Ionized
Formula: C₁₀H₈O₆-2

SMILES:

O(CC(=O)[O-])c1ccccc1OCC(=O)[O-]

InChI:

InChI=1/C10H10O6/c11-9(12)5-15-7-3-1-2-4-8(7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8145 kcal/mol

Physical Properties
Molecular Weight: 224.168 g/mol	logS: -1.99822	SlogP: -2.056	Reactive groups: 0

Topological Properties
Globularity: 0.0567283	Sterimol/B1: 2.42439	Sterimol/B2: 2.95296	Sterimol/B3: 2.95384
Sterimol/B4: 7.43432	Sterimol/L: 10.5658

Surface and Volume Properties
Accessible surface: 423.737	Positive charged surface: 200.291	Negative charged surface: 223.446	Volume: 192
Hydrophobic surface: 215.186	Hydrophilic surface: 208.551

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 4	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:

MMs00024435
ALFAAESAR-ZINC03894527