MMsINC Database Search


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MMsINC code: MMs03232637

Type: Neutral
Formula: C₁₀H₁₄O₂

SMILES:

Oc1ccccc1COC(C)C

InChI:

InChI=1/C10H14O2/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8,11H,7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.8653 kcal/mol

Physical Properties
Molecular Weight: 166.22 g/mol	logS: -1.79355	SlogP: 2.5836	Reactive groups: 0

Topological Properties
Globularity: 0.0783589	Sterimol/B1: 2.44925	Sterimol/B2: 3.21781	Sterimol/B3: 4.05423
Sterimol/B4: 5.18839	Sterimol/L: 12.102

Surface and Volume Properties
Accessible surface: 394.579	Positive charged surface: 258.104	Negative charged surface: 136.475	Volume: 177.25
Hydrophobic surface: 304.861	Hydrophilic surface: 89.718

Pharmacophoric Properties
Hydrogen bond donors: 1	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.