MMsINC Database Search


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MMsINC code: MMs03378168

Type: Neutral
Formula: C₁₉H₂₆NO+

SMILES:

O(C(Cc1ccccc1)c1ccccc1)CC[N+](C)(C)C

InChI:

InChI=1/C19H26NO/c1-20(2,3)14-15-21-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3/q+1/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6807 kcal/mol

Physical Properties
Molecular Weight: 284.423 g/mol	logS: -3.09796	SlogP: 3.78867	Reactive groups: 0

Topological Properties
Globularity: 0.189819	Sterimol/B1: 2.81401	Sterimol/B2: 4.36943	Sterimol/B3: 6.74304
Sterimol/B4: 7.38701	Sterimol/L: 12.2517

Surface and Volume Properties
Accessible surface: 577.367	Positive charged surface: 415.322	Negative charged surface: 162.045	Volume: 319
Hydrophobic surface: 523.138	Hydrophilic surface: 54.229

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.