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MMsINC code: MMs02849059

Type: Neutral
Formula: C₁₉H₂₄N₃O₃+

SMILES:

O(C)c1c(OC)cc(cc1OC)CNCC[n+]1c2c([nH]c1)cccc2

InChI:

InChI=1/C19H23N3O3/c1-23-17-10-14(11-18(24-2)19(17)25-3)12-20-8-9-22-13-21-15-6-4-5-7-16(15)22/h4-7,10-11,13,20H,8-9,12H2,1-3H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.155 kcal/mol

Physical Properties
Molecular Weight: 342.419 g/mol	logS: -3.36018	SlogP: 2.8038	Reactive groups: 0

Topological Properties
Globularity: 0.0228063	Sterimol/B1: 2.42248	Sterimol/B2: 2.85763	Sterimol/B3: 3.32516
Sterimol/B4: 9.34614	Sterimol/L: 18.9238

Surface and Volume Properties
Accessible surface: 646.784	Positive charged surface: 532.157	Negative charged surface: 114.627	Volume: 344.125
Hydrophobic surface: 533.915	Hydrophilic surface: 112.869

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 2
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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Ions/Tautomers related molecules: no related molecules available.