MMsINC Database Search


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MMsINC code: MMs02838402

Type: Neutral
Formula: C₁₁H₈O₂

SMILES:

O(C=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C11H8O2/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5567 kcal/mol

Physical Properties
Molecular Weight: 172.183 g/mol	logS: -3.5052	SlogP: 2.375	Reactive groups: 0

Topological Properties
Globularity: 0.000251968	Sterimol/B1: 2.097	Sterimol/B2: 2.16545	Sterimol/B3: 3.51823
Sterimol/B4: 4.571	Sterimol/L: 12.4795

Surface and Volume Properties
Accessible surface: 363.773	Positive charged surface: 178.269	Negative charged surface: 174.433	Volume: 168.25
Hydrophobic surface: 276.941	Hydrophilic surface: 86.832

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.