MMsINC Database Search


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MMsINC code: MMs02234377

Type: Neutral
Formula: C₁₂H₂₄O

SMILES:

OCC1CCCCCCCCCC1

InChI:

InChI=1/C12H24O/c13-11-12-9-7-5-3-1-2-4-6-8-10-12/h12-13H,1-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.586 kcal/mol

Physical Properties
Molecular Weight: 184.323 g/mol	logS: -4.13847	SlogP: 3.5095	Reactive groups: 0

Topological Properties
Globularity: 0.250371	Sterimol/B1: 2.30503	Sterimol/B2: 3.57713	Sterimol/B3: 4.15709
Sterimol/B4: 5.60749	Sterimol/L: 10.7723

Surface and Volume Properties
Accessible surface: 393.501	Positive charged surface: 321.211	Negative charged surface: 72.29	Volume: 213.375
Hydrophobic surface: 344.898	Hydrophilic surface: 48.603

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.