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MMsINC code: MMs01046770

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₃

SMILES:

Clc1cc2N(CCOc2cc1)C(=O)Nc1ccc(OCC)cc1

InChI:

InChI=1/C17H17ClN2O3/c1-2-22-14-6-4-13(5-7-14)19-17(21)20-9-10-23-16-8-3-12(18)11-15(16)20/h3-8,11H,2,9-10H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.4753 kcal/mol

Physical Properties
Molecular Weight: 332.787 g/mol	logS: -4.45716	SlogP: 4.1696	Reactive groups: 0

Topological Properties
Globularity: 0.0201068	Sterimol/B1: 2.87504	Sterimol/B2: 3.13046	Sterimol/B3: 5.4307
Sterimol/B4: 5.55641	Sterimol/L: 17.2997

Surface and Volume Properties
Accessible surface: 579.898	Positive charged surface: 350.119	Negative charged surface: 229.78	Volume: 300.25
Hydrophobic surface: 513.946	Hydrophilic surface: 65.952

Pharmacophoric Properties
Hydrogen bond donors: 1	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.