MMsINC Database Search


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MMsINC code: MMs00006511

Type: Neutral
Formula: C₁₂H₁₀O₂

SMILES:

Oc1ccc(cc1)-c1ccc(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.5288 kcal/mol

Physical Properties
Molecular Weight: 186.21 g/mol	logS: -3.08736	SlogP: 2.7648	Reactive groups: 0

Topological Properties
Globularity: 0.00658089	Sterimol/B1: 2.097	Sterimol/B2: 2.19241	Sterimol/B3: 2.42102
Sterimol/B4: 4.83463	Sterimol/L: 13.2997

Surface and Volume Properties
Accessible surface: 387.83	Positive charged surface: 203.249	Negative charged surface: 173.51	Volume: 185.375
Hydrophobic surface: 283.972	Hydrophilic surface: 103.858

Pharmacophoric Properties
Hydrogen bond donors: 2	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.