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MMsINC code: MMs01306019

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)NC(C(N1CCOCC1)c1ccccc1)C

InChI:

InChI=1/C20H23ClN2O2/c1-15(22-20(24)17-7-9-18(21)10-8-17)19(16-5-3-2-4-6-16)23-11-13-25-14-12-23/h2-10,15,19H,11-14H2,1H3,(H,22,24)/t15-,19+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.419 kcal/mol

Physical Properties
Molecular Weight: 358.869 g/mol	logS: -4.54978	SlogP: 3.6273	Reactive groups: 0

Topological Properties
Globularity: 0.141752	Sterimol/B1: 2.18549	Sterimol/B2: 3.13446	Sterimol/B3: 4.94749
Sterimol/B4: 8.33321	Sterimol/L: 17.4758

Surface and Volume Properties
Accessible surface: 603.334	Positive charged surface: 357.145	Negative charged surface: 246.19	Volume: 342.625
Hydrophobic surface: 542.679	Hydrophilic surface: 60.655

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs01306020
ENAMINE-ZINC03206162