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MMsINC code: MMs01616039

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)NCCC(=O)NCc1ccccc1OC

InChI:

InChI=1/C18H19ClN2O3/c1-24-16-5-3-2-4-14(16)12-21-17(22)10-11-20-18(23)13-6-8-15(19)9-7-13/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.3018 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -4.13807	SlogP: 3.0513	Reactive groups: 0

Topological Properties
Globularity: 0.0572912	Sterimol/B1: 2.12292	Sterimol/B2: 2.29164	Sterimol/B3: 5.59261
Sterimol/B4: 6.41189	Sterimol/L: 20.0939

Surface and Volume Properties
Accessible surface: 641.121	Positive charged surface: 380.638	Negative charged surface: 260.483	Volume: 324.375
Hydrophobic surface: 542.446	Hydrophilic surface: 98.675

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
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.