MMsINC Database Search


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MMsINC code: MMs02109853

Type: Neutral
Formula: C₁₂H₁₀O₂

SMILES:

O(c1ccccc1O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.2405 kcal/mol

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

Topological Properties
Globularity: 0.116688	Sterimol/B1: 3.32342	Sterimol/B2: 3.34969	Sterimol/B3: 3.80697
Sterimol/B4: 4.49743	Sterimol/L: 12.1624

Surface and Volume Properties
Accessible surface: 389.947	Positive charged surface: 222.374	Negative charged surface: 167.573	Volume: 184.875
Hydrophobic surface: 339.627	Hydrophilic surface: 50.32

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.