MMsINC Database Search


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MMsINC code: MMs02183644

Type: Neutral
Formula: C₁₁H₁₄O₂

SMILES:

O1CCOC1(C)c1ccc(cc1)C

InChI:

InChI=1/C11H14O2/c1-9-3-5-10(6-4-9)11(2)12-7-8-13-11/h3-6H,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.7033 kcal/mol

Physical Properties
Molecular Weight: 178.231 g/mol	logS: -2.64965	SlogP: 2.52602	Reactive groups: 0

Topological Properties
Globularity: 0.151059	Sterimol/B1: 3.17029	Sterimol/B2: 3.4159	Sterimol/B3: 3.63326
Sterimol/B4: 4.29942	Sterimol/L: 11.7981

Surface and Volume Properties
Accessible surface: 392.368	Positive charged surface: 272.339	Negative charged surface: 120.029	Volume: 187.125
Hydrophobic surface: 360.337	Hydrophilic surface: 32.031

Pharmacophoric Properties
Hydrogen bond donors: 0	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.