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MMsINC code: MMs00744944

Type: Neutral
Formula: C₁₉H₂₁Cl₂NO₂

SMILES:

Clc1cc(Cl)ccc1OCCCC(=O)NCCCc1ccccc1

InChI:

InChI=1/C19H21Cl2NO2/c20-16-10-11-18(17(21)14-16)24-13-5-9-19(23)22-12-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-11,14H,4-5,8-9,12-13H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.0015 kcal/mol

Physical Properties
Molecular Weight: 366.288 g/mol	logS: -5.19124	SlogP: 4.90137	Reactive groups: 0

Topological Properties
Globularity: 0.0223191	Sterimol/B1: 3.0182	Sterimol/B2: 3.61708	Sterimol/B3: 3.61986
Sterimol/B4: 6.09018	Sterimol/L: 22.9003

Surface and Volume Properties
Accessible surface: 676.321	Positive charged surface: 366.35	Negative charged surface: 309.971	Volume: 346.25
Hydrophobic surface: 626.583	Hydrophilic surface: 49.738

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.