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MMsINC code: MMs01622093

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

Clc1ccccc1C(=O)NCCC(=O)Nc1ccc(OCC)cc1

InChI:

InChI=1/C18H19ClN2O3/c1-2-24-14-9-7-13(8-10-14)21-17(22)11-12-20-18(23)15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4696 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -4.52124	SlogP: 3.4973	Reactive groups: 0

Topological Properties
Globularity: 0.00936186	Sterimol/B1: 2.63605	Sterimol/B2: 2.9939	Sterimol/B3: 4.44387
Sterimol/B4: 4.46542	Sterimol/L: 22.155

Surface and Volume Properties
Accessible surface: 630.901	Positive charged surface: 375.096	Negative charged surface: 255.804	Volume: 325.375
Hydrophobic surface: 523.121	Hydrophilic surface: 107.78

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.