MMsINC Database Search


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MMsINC code: MMs01291024

Type: Ionized
Formula: C₁₄H₉O₄-

SMILES:

Oc1ccccc1C(=O)c1ccccc1C(=O)[O-]

InChI:

InChI=1/C14H10O4/c15-12-8-4-3-7-11(12)13(16)9-5-1-2-6-10(9)14(17)18/h1-8,15H,(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3304 kcal/mol

Physical Properties
Molecular Weight: 241.222 g/mol	logS: -3.32559	SlogP: 0.9867	Reactive groups: 0

Topological Properties
Globularity: 0.151081	Sterimol/B1: 2.2407	Sterimol/B2: 3.05833	Sterimol/B3: 5.27565
Sterimol/B4: 5.41597	Sterimol/L: 12.5276

Surface and Volume Properties
Accessible surface: 425.747	Positive charged surface: 191.649	Negative charged surface: 234.098	Volume: 217.375
Hydrophobic surface: 300.257	Hydrophilic surface: 125.49

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:

MMs01291023
ENAMINE-ZINC03132783