MMsINC Database Search


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MMsINC code: MMs02830794

Type: Ionized
Formula: C₁₅H₁₁O₄-

SMILES:

OCc1ccc(cc1)C(=O)c1ccccc1C(=O)[O-]

InChI:

InChI=1/C15H12O4/c16-9-10-5-7-11(8-6-10)14(17)12-3-1-2-4-13(12)15(18)19/h1-8,16H,9H2,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0864 kcal/mol

Physical Properties
Molecular Weight: 255.249 g/mol	logS: -3.45856	SlogP: 1.0398	Reactive groups: 0

Topological Properties
Globularity: 0.128096	Sterimol/B1: 2.48736	Sterimol/B2: 3.82664	Sterimol/B3: 3.88566
Sterimol/B4: 6.63543	Sterimol/L: 14.373

Surface and Volume Properties
Accessible surface: 465.321	Positive charged surface: 241.284	Negative charged surface: 224.037	Volume: 238.25
Hydrophobic surface: 305	Hydrophilic surface: 160.321

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:

MMs02830793
PUBCHEM-ZINC01926255