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MMsINC code: MMs02939110

Type: Neutral
Formula: C₁₈H₁₉Cl₂NO₃

SMILES:

Clc1cc(cc(Cl)c1OCCCC)C(=O)Nc1ccccc1OC

InChI:

InChI=1/C18H19Cl2NO3/c1-3-4-9-24-17-13(19)10-12(11-14(17)20)18(22)21-15-7-5-6-8-16(15)23-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.0053 kcal/mol

Physical Properties
Molecular Weight: 368.26 g/mol	logS: -5.96841	SlogP: 5.4332	Reactive groups: 0

Topological Properties
Globularity: 0.0213945	Sterimol/B1: 2.83034	Sterimol/B2: 4.38068	Sterimol/B3: 4.67008
Sterimol/B4: 6.0447	Sterimol/L: 19.5176

Surface and Volume Properties
Accessible surface: 634.128	Positive charged surface: 364.787	Negative charged surface: 269.341	Volume: 333.375
Hydrophobic surface: 563.602	Hydrophilic surface: 70.526

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.