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MMsINC code: MMs02306115

Type: Ionized
Formula: C₁₄H₉O₅-

SMILES:

Oc1ccc(O)cc1C(=O)c1ccccc1C(=O)[O-]

InChI:

InChI=1/C14H10O5/c15-8-5-6-12(16)11(7-8)13(17)9-3-1-2-4-10(9)14(18)19/h1-7,15-16H,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.1327 kcal/mol

Physical Properties
Molecular Weight: 257.221 g/mol	logS: -2.96364	SlogP: 0.6923	Reactive groups: 0

Topological Properties
Globularity: 0.136503	Sterimol/B1: 2.1761	Sterimol/B2: 3.49637	Sterimol/B3: 5.19227
Sterimol/B4: 5.41847	Sterimol/L: 12.5163

Surface and Volume Properties
Accessible surface: 432.569	Positive charged surface: 195.887	Negative charged surface: 236.682	Volume: 223.25
Hydrophobic surface: 265.484	Hydrophilic surface: 167.085

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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:

MMs02306114
NCID-ZINC01670022