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MMsINC code: MMs02939779

Type: Neutral
Formula: C₁₉H₁₉Cl₂NO₄

SMILES:

Clc1cc(cc(Cl)c1OCCCC)C(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C19H19Cl2NO4/c1-3-4-9-26-17-14(20)10-12(11-15(17)21)18(23)22-16-8-6-5-7-13(16)19(24)25-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.9954 kcal/mol

Physical Properties
Molecular Weight: 396.27 g/mol	logS: -6.29976	SlogP: 5.2112	Reactive groups: 0

Topological Properties
Globularity: 0.0213209	Sterimol/B1: 2.83298	Sterimol/B2: 4.35617	Sterimol/B3: 5.47718
Sterimol/B4: 6.22539	Sterimol/L: 19.435

Surface and Volume Properties
Accessible surface: 660.419	Positive charged surface: 380.598	Negative charged surface: 279.822	Volume: 354
Hydrophobic surface: 573.149	Hydrophilic surface: 87.27

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.