MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02301141

Type: Neutral
Formula: C₁₆H₂₄O₂

SMILES:

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

InChI:

InChI=1/C16H24O2/c1-4-15(5-2)12-17-16(6-3,18-13-15)14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2291 kcal/mol

Physical Properties
Molecular Weight: 248.366 g/mol	logS: -4.01325	SlogP: 4.4141	Reactive groups: 0

Topological Properties
Globularity: 0.191411	Sterimol/B1: 2.35917	Sterimol/B2: 2.56492	Sterimol/B3: 5.23881
Sterimol/B4: 6.82537	Sterimol/L: 13.908

Surface and Volume Properties
Accessible surface: 476.971	Positive charged surface: 321.72	Negative charged surface: 155.251	Volume: 267.5
Hydrophobic surface: 413.575	Hydrophilic surface: 63.396

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.