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MMsINC code: MMs00348658

Type: Neutral
Formula: C₂₆H₄₀NO+

SMILES:

O(CCCC[n+]1ccc(cc1)C)c1ccc(cc1CCCCC)CCCCC

InChI:

InChI=1/C26H40NO/c1-4-6-8-12-24-14-15-26(25(22-24)13-9-7-5-2)28-21-11-10-18-27-19-16-23(3)17-20-27/h14-17,19-20,22H,4-13,18,21H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8275 kcal/mol

Physical Properties
Molecular Weight: 382.612 g/mol	logS: -7.47469	SlogP: 6.87346	Reactive groups: 0

Topological Properties
Globularity: 0.033556	Sterimol/B1: 2.13903	Sterimol/B2: 3.2966	Sterimol/B3: 3.95163
Sterimol/B4: 13.3221	Sterimol/L: 22.9379

Surface and Volume Properties
Accessible surface: 825.376	Positive charged surface: 631.346	Negative charged surface: 194.03	Volume: 442.5
Hydrophobic surface: 745.443	Hydrophilic surface: 79.933

Pharmacophoric Properties
Hydrogen bond donors: 0	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.