MMsINC Database Search


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MMsINC code: MMs02326359

Type: Neutral
Formula: C₂₃H₂₆NO+

SMILES:

OC(c1ccccc1C[N+](Cc1ccccc1)(C)C)c1ccccc1

InChI:

InChI=1/C23H26NO/c1-24(2,17-19-11-5-3-6-12-19)18-21-15-9-10-16-22(21)23(25)20-13-7-4-8-14-20/h3-16,23,25H,17-18H2,1-2H3/q+1/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.482 kcal/mol

Physical Properties
Molecular Weight: 332.467 g/mol	logS: -4.43277	SlogP: 5.1732	Reactive groups: 0

Topological Properties
Globularity: 0.139664	Sterimol/B1: 2.90528	Sterimol/B2: 4.60384	Sterimol/B3: 5.0391
Sterimol/B4: 6.59799	Sterimol/L: 16.0734

Surface and Volume Properties
Accessible surface: 575.387	Positive charged surface: 347.325	Negative charged surface: 228.062	Volume: 352.625
Hydrophobic surface: 511.131	Hydrophilic surface: 64.256

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

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.