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MMsINC code: MMs03158349

Type: Ionized
Formula: C₁₉H₂₆NO+

SMILES:

O(C)c1ccc2c(cccc2)c1C[NH+](C)C1CCCCC1

InChI:

InChI=1/C19H25NO/c1-20(16-9-4-3-5-10-16)14-18-17-11-7-6-8-15(17)12-13-19(18)21-2/h6-8,11-13,16H,3-5,9-10,14H2,1-2H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0209 kcal/mol

Physical Properties
Molecular Weight: 284.423 g/mol	logS: -4.63134	SlogP: 3.4622	Reactive groups: 0

Topological Properties
Globularity: 0.0889242	Sterimol/B1: 2.39356	Sterimol/B2: 4.35147	Sterimol/B3: 4.7759
Sterimol/B4: 7.89555	Sterimol/L: 14.314

Surface and Volume Properties
Accessible surface: 544.944	Positive charged surface: 413.689	Negative charged surface: 121.355	Volume: 312.5
Hydrophobic surface: 519.898	Hydrophilic surface: 25.046

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: 0	Oprea's lead like rule: 1

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Parent related molecule:

MMs03158348
PUBCHEM-ZINC04695065