MMsINC Database Search


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MMsINC code: MMs02359744

Type: Neutral
Formula: C₁₅H₂₆NO+

SMILES:

OCCCCCCCCC[n+]1ccc(cc1)C

InChI:

InChI=1/C15H26NO/c1-15-9-12-16(13-10-15)11-7-5-3-2-4-6-8-14-17/h9-10,12-13,17H,2-8,11,14H2,1H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.8937 kcal/mol

Physical Properties
Molecular Weight: 236.379 g/mol	logS: -2.62048	SlogP: 3.27192	Reactive groups: 0

Topological Properties
Globularity: 0.0357779	Sterimol/B1: 2.11458	Sterimol/B2: 3.61635	Sterimol/B3: 3.6278
Sterimol/B4: 4.65758	Sterimol/L: 20.4829

Surface and Volume Properties
Accessible surface: 559.338	Positive charged surface: 448.683	Negative charged surface: 110.654	Volume: 271.625
Hydrophobic surface: 469.437	Hydrophilic surface: 89.901

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 1
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.