MMsINC Database Search


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MMsINC code: MMs00834312

Type: Ionized
Formula: C₁₄H₈O₄-2

SMILES:

O=C([O-])c1ccc(cc1)-c1ccc(cc1)C(=O)[O-]

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.61 kcal/mol

Physical Properties
Molecular Weight: 240.214 g/mol	logS: -4.27096	SlogP: 0.0806	Reactive groups: 0

Topological Properties
Globularity: 0.0306793	Sterimol/B1: 2.097	Sterimol/B2: 2.351	Sterimol/B3: 3.09007
Sterimol/B4: 4.53774	Sterimol/L: 15.0051

Surface and Volume Properties
Accessible surface: 436.402	Positive charged surface: 171.677	Negative charged surface: 259.578	Volume: 220.5
Hydrophobic surface: 258.525	Hydrophilic surface: 177.877

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

search links for this molecule:

Parent related molecule:

MMs00834311
CHEMDIV-ZINC00134079