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MMsINC code: MMs00672065

Type: Neutral
Formula: C₁₈H₁₇Cl₂NO₃

SMILES:

Clc1cc(Cl)ccc1COC(=O)c1ccccc1NC(=O)C(C)C

InChI:

InChI=1/C18H17Cl2NO3/c1-11(2)17(22)21-16-6-4-3-5-14(16)18(23)24-10-12-7-8-13(19)9-15(12)20/h3-9,11H,10H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.0644 kcal/mol

Physical Properties
Molecular Weight: 366.244 g/mol	logS: -5.61608	SlogP: 5.2113	Reactive groups: 0

Topological Properties
Globularity: 0.0257442	Sterimol/B1: 2.53273	Sterimol/B2: 4.12882	Sterimol/B3: 4.27479
Sterimol/B4: 7.4432	Sterimol/L: 18.2585

Surface and Volume Properties
Accessible surface: 614.049	Positive charged surface: 293.135	Negative charged surface: 320.914	Volume: 325.75
Hydrophobic surface: 521.246	Hydrophilic surface: 92.803

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.