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MMsINC code: MMs01436106

Type: Neutral
Formula: C₁₈H₁₇Cl₂NO₄

SMILES:

Clc1cc(Cl)ccc1COC(=O)CNC(=O)c1ccccc1OCC

InChI:

InChI=1/C18H17Cl2NO4/c1-2-24-16-6-4-3-5-14(16)18(23)21-10-17(22)25-11-12-7-8-13(19)9-15(12)20/h3-9H,2,10-11H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3202 kcal/mol

Physical Properties
Molecular Weight: 382.243 g/mol	logS: -5.55325	SlogP: 4.1317	Reactive groups: 1

Topological Properties
Globularity: 0.00581547	Sterimol/B1: 1.969	Sterimol/B2: 2.37836	Sterimol/B3: 2.37872
Sterimol/B4: 8.74204	Sterimol/L: 19.5118

Surface and Volume Properties
Accessible surface: 653.064	Positive charged surface: 335.571	Negative charged surface: 317.493	Volume: 337.125
Hydrophobic surface: 546.997	Hydrophilic surface: 106.067

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.