MMsINC Database Search


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MMsINC code: MMs02306862

Type: Neutral
Formula: C₁₅H₂₂O₂

SMILES:

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

InChI:

InChI=1/C15H22O2/c1-4-14(3)11-16-15(5-2,17-12-14)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3/t14-,15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2402 kcal/mol

Physical Properties
Molecular Weight: 234.339 g/mol	logS: -3.49803	SlogP: 4.024	Reactive groups: 0

Topological Properties
Globularity: 0.164544	Sterimol/B1: 3.03368	Sterimol/B2: 4.17693	Sterimol/B3: 4.35363
Sterimol/B4: 4.83751	Sterimol/L: 14.0484

Surface and Volume Properties
Accessible surface: 457.684	Positive charged surface: 313.851	Negative charged surface: 143.833	Volume: 252.75
Hydrophobic surface: 398.417	Hydrophilic surface: 59.267

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.