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MMsINC code: MMs01721492

Type: Neutral
Formula: C₁₉H₂₃ClN₂O₂

SMILES:

Clc1ccc(cc1OCC(=O)NCC(N(C)C)c1ccccc1)C

InChI:

InChI=1/C19H23ClN2O2/c1-14-9-10-16(20)18(11-14)24-13-19(23)21-12-17(22(2)3)15-7-5-4-6-8-15/h4-11,17H,12-13H2,1-3H3,(H,21,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.677 kcal/mol

Physical Properties
Molecular Weight: 346.858 g/mol	logS: -4.48183	SlogP: 3.54182	Reactive groups: 0

Topological Properties
Globularity: 0.0590742	Sterimol/B1: 2.91671	Sterimol/B2: 3.3674	Sterimol/B3: 4.87863
Sterimol/B4: 7.58298	Sterimol/L: 18.7704

Surface and Volume Properties
Accessible surface: 621.921	Positive charged surface: 378.549	Negative charged surface: 243.372	Volume: 337.875
Hydrophobic surface: 580.434	Hydrophilic surface: 41.487

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
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

MMs01721493
ENAMINE-ZINC07059697