MMsINC Database Search


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MMsINC code: MMs00025226

Type: Neutral
Formula: C₁₅H₃₀O

SMILES:

OC1CCCCCCCCCCCCCC1

InChI:

InChI=1/C15H30O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h15-16H,1-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.6848 kcal/mol

Physical Properties
Molecular Weight: 226.404 g/mol	logS: -5.49612	SlogP: 4.8223	Reactive groups: 0

Topological Properties
Globularity: 0.148943	Sterimol/B1: 2.35229	Sterimol/B2: 3.10393	Sterimol/B3: 3.77271
Sterimol/B4: 7.81784	Sterimol/L: 11.54

Surface and Volume Properties
Accessible surface: 463.311	Positive charged surface: 370.876	Negative charged surface: 92.4354	Volume: 269.875
Hydrophobic surface: 420.441	Hydrophilic surface: 42.87

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: 0

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Ions/Tautomers related molecules: no related molecules available.