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MMsINC code: MMs02599737

Type: Neutral
Formula: C₂₂H₂₄NO+

SMILES:

[o+]1c2c(cccc2)c(N(C)C2CCCCC2)cc1-c1ccccc1

InChI:

InChI=1/C22H24NO/c1-23(18-12-6-3-7-13-18)20-16-22(17-10-4-2-5-11-17)24-21-15-9-8-14-19(20)21/h2,4-5,8-11,14-16,18H,3,6-7,12-13H2,1H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.682 kcal/mol

Physical Properties
Molecular Weight: 318.44 g/mol	logS: -6.89819	SlogP: 6.1498	Reactive groups: 0

Topological Properties
Globularity: 0.165881	Sterimol/B1: 2.12562	Sterimol/B2: 5.36341	Sterimol/B3: 7.12026
Sterimol/B4: 7.19412	Sterimol/L: 14.5757

Surface and Volume Properties
Accessible surface: 581.74	Positive charged surface: 383.935	Negative charged surface: 189.431	Volume: 331.75
Hydrophobic surface: 565.727	Hydrophilic surface: 16.013

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.