MMsINC Database Search


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MMsINC code: MMs02862099

Type: Neutral
Formula: C₁₁H₈O₃

SMILES:

o1cccc1C(=O)c1ccc(O)cc1

InChI:

InChI=1/C11H8O3/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7,12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.8435 kcal/mol

Physical Properties
Molecular Weight: 188.182 g/mol	logS: -2.84731	SlogP: 2.2162	Reactive groups: 0

Topological Properties
Globularity: 0.00476202	Sterimol/B1: 2.097	Sterimol/B2: 2.37132	Sterimol/B3: 3.5883
Sterimol/B4: 4.5222	Sterimol/L: 12.7355

Surface and Volume Properties
Accessible surface: 378.915	Positive charged surface: 191.509	Negative charged surface: 187.405	Volume: 174.5
Hydrophobic surface: 290.176	Hydrophilic surface: 88.739

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	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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Ions/Tautomers related molecules: no related molecules available.