MMsINC Database Search


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MMsINC code: MMs02359746

Type: Neutral
Formula: C₁₇H₃₀NO+

SMILES:

OCCCCCCCCCC[n+]1cc(C)c(cc1)C

InChI:

InChI=1/C17H30NO/c1-16-11-13-18(15-17(16)2)12-9-7-5-3-4-6-8-10-14-19/h11,13,15,19H,3-10,12,14H2,1-2H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.2058 kcal/mol

Physical Properties
Molecular Weight: 264.433 g/mol	logS: -3.29617	SlogP: 3.97044	Reactive groups: 0

Topological Properties
Globularity: 0.0336037	Sterimol/B1: 2.40492	Sterimol/B2: 4.00205	Sterimol/B3: 4.37301
Sterimol/B4: 4.92745	Sterimol/L: 21.6804

Surface and Volume Properties
Accessible surface: 611.315	Positive charged surface: 489.917	Negative charged surface: 121.398	Volume: 307.875
Hydrophobic surface: 525.32	Hydrophilic surface: 85.995

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.