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MMsINC code: MMs01731963

Type: Ionized
Formula: C₁₀H₆O₄-2

SMILES:

O=C([O-])c1cc(ccc1)\C=C\C(=O)[O-]

InChI:

InChI=1/C10H8O4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)(H,13,14)/p-2/b5-4+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.2007 kcal/mol

Physical Properties
Molecular Weight: 190.154 g/mol	logS: -2.3504	SlogP: -1.1868	Reactive groups: 0

Topological Properties
Globularity: 0.0169366	Sterimol/B1: 2.1888	Sterimol/B2: 2.55237	Sterimol/B3: 2.64472
Sterimol/B4: 6.29222	Sterimol/L: 13.0889

Surface and Volume Properties
Accessible surface: 379.537	Positive charged surface: 146.141	Negative charged surface: 233.396	Volume: 168.75
Hydrophobic surface: 176.603	Hydrophilic surface: 202.934

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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:

MMs01731962
IBS-ZINC00193177