MMsINC Database Search


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MMsINC code: MMs00006563

Type: Neutral
Formula: C₁₂H₁₀O₂

SMILES:

O(c1cc(O)ccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.8953 kcal/mol

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

Topological Properties
Globularity: 0.146818	Sterimol/B1: 3.13057	Sterimol/B2: 3.66608	Sterimol/B3: 4.04832
Sterimol/B4: 4.71733	Sterimol/L: 12.0628

Surface and Volume Properties
Accessible surface: 393.301	Positive charged surface: 222.086	Negative charged surface: 171.215	Volume: 185.75
Hydrophobic surface: 342.717	Hydrophilic surface: 50.584

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

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Ions/Tautomers related molecules: no related molecules available.