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MMsINC code: MMs01827067

Type: Neutral
Formula: C₁₉H₂₁Cl₂NO₄

SMILES:

Clc1cc(Cl)ccc1OCC(=O)NOCc1ccc(OCCCC)cc1

InChI:

InChI=1/C19H21Cl2NO4/c1-2-3-10-24-16-7-4-14(5-8-16)12-26-22-19(23)13-25-18-9-6-15(20)11-17(18)21/h4-9,11H,2-3,10,12-13H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.5186 kcal/mol

Physical Properties
Molecular Weight: 398.286 g/mol	logS: -6.19345	SlogP: 5.0655	Reactive groups: 0

Topological Properties
Globularity: 0.0211167	Sterimol/B1: 3.2092	Sterimol/B2: 3.93583	Sterimol/B3: 4.11791
Sterimol/B4: 5.58589	Sterimol/L: 25.0009

Surface and Volume Properties
Accessible surface: 719.06	Positive charged surface: 390.895	Negative charged surface: 328.165	Volume: 360.875
Hydrophobic surface: 609.355	Hydrophilic surface: 109.705

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.