MMsINC Database Search


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MMsINC code: MMs02402584

Type: Neutral
Formula: C₂₄H₃₆NO+

SMILES:

OCCCCCCCCCCCC[n+]1ccc(cc1)Cc1ccccc1

InChI:

InChI=1/C24H36NO/c26-21-13-8-6-4-2-1-3-5-7-12-18-25-19-16-24(17-20-25)22-23-14-10-9-11-15-23/h9-11,14-17,19-20,26H,1-8,12-13,18,21-22H2/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8699 kcal/mol

Physical Properties
Molecular Weight: 354.558 g/mol	logS: -5.8086	SlogP: 5.72457	Reactive groups: 0

Topological Properties
Globularity: 0.0204687	Sterimol/B1: 2.34397	Sterimol/B2: 3.62017	Sterimol/B3: 3.62485
Sterimol/B4: 4.82781	Sterimol/L: 27.467

Surface and Volume Properties
Accessible surface: 765.058	Positive charged surface: 598.975	Negative charged surface: 166.083	Volume: 406.25
Hydrophobic surface: 677.776	Hydrophilic surface: 87.282

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.