MMsINC Database Search


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MMsINC code: MMs00002921

Type: Neutral
Formula: C₁₃H₁₀O₃

SMILES:

O(C(=O)c1ccccc1O)c1ccccc1

InChI:

InChI=1/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.189 kcal/mol

Physical Properties
Molecular Weight: 214.22 g/mol	logS: -3.13699	SlogP: 2.6114	Reactive groups: 0

Topological Properties
Globularity: 0.0736653	Sterimol/B1: 3.31174	Sterimol/B2: 3.31995	Sterimol/B3: 3.9316
Sterimol/B4: 4.08134	Sterimol/L: 14.1504

Surface and Volume Properties
Accessible surface: 426.957	Positive charged surface: 239.004	Negative charged surface: 187.952	Volume: 204.75
Hydrophobic surface: 358.568	Hydrophilic surface: 68.389

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.