MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00005793

Type: Neutral
Formula: C₁₂H₁₀O₂

SMILES:

O(c1ccc(O)cc1)c1ccccc1

InChI:

InChI=1/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2493 kcal/mol

Physical Properties
Molecular Weight: 186.21 g/mol	logS: -2.80564	SlogP: 3.1845	Reactive groups: 0

Topological Properties
Globularity: 0.116271	Sterimol/B1: 3.11982	Sterimol/B2: 3.603	Sterimol/B3: 3.6766
Sterimol/B4: 4.74862	Sterimol/L: 12.9382

Surface and Volume Properties
Accessible surface: 392.583	Positive charged surface: 222.357	Negative charged surface: 170.225	Volume: 186.25
Hydrophobic surface: 341.727	Hydrophilic surface: 50.856

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.