MMsINC Database Search


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MMsINC code: MMs02306852

Type: Neutral
Formula: C₁₄H₂₀O₂

SMILES:

O1CC(COC1(C)c1ccccc1)(CC)C

InChI:

InChI=1/C14H20O2/c1-4-13(2)10-15-14(3,16-11-13)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3/t13-,14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.543 kcal/mol

Physical Properties
Molecular Weight: 220.312 g/mol	logS: -3.29626	SlogP: 3.6339	Reactive groups: 0

Topological Properties
Globularity: 0.165224	Sterimol/B1: 2.42098	Sterimol/B2: 3.42743	Sterimol/B3: 3.65528
Sterimol/B4: 6.2493	Sterimol/L: 12.764

Surface and Volume Properties
Accessible surface: 439.062	Positive charged surface: 295.643	Negative charged surface: 143.419	Volume: 234.125
Hydrophobic surface: 381.426	Hydrophilic surface: 57.636

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.