MMsINC Database Search


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MMsINC code: MMs00006923

Type: Neutral
Formula: C₁₃H₁₀O₂

SMILES:

O(C(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.6326 kcal/mol

Physical Properties
Molecular Weight: 198.221 g/mol	logS: -3.49894	SlogP: 2.9058	Reactive groups: 0

Topological Properties
Globularity: 0.0646629	Sterimol/B1: 3.11929	Sterimol/B2: 3.15139	Sterimol/B3: 3.28583
Sterimol/B4: 3.68099	Sterimol/L: 14.1765

Surface and Volume Properties
Accessible surface: 418.133	Positive charged surface: 219.59	Negative charged surface: 198.543	Volume: 197.875
Hydrophobic surface: 387.401	Hydrophilic surface: 30.732

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.