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MMsINC code: MMs01651342

Type: Neutral
Formula: C₁₉H₁₈Cl₂O₄

SMILES:

Clc1cc(Cl)ccc1C(=O)COC(=O)c1ccc(OCCCC)cc1

InChI:

InChI=1/C19H18Cl2O4/c1-2-3-10-24-15-7-4-13(5-8-15)19(23)25-12-18(22)16-9-6-14(20)11-17(16)21/h4-9,11H,2-3,10,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.1114 kcal/mol

Physical Properties
Molecular Weight: 381.255 g/mol	logS: -6.42902	SlogP: 5.212	Reactive groups: 0

Topological Properties
Globularity: 0.00575164	Sterimol/B1: 2.37472	Sterimol/B2: 2.37726	Sterimol/B3: 4.10745
Sterimol/B4: 6.49144	Sterimol/L: 22.6429

Surface and Volume Properties
Accessible surface: 665.746	Positive charged surface: 346.38	Negative charged surface: 319.366	Volume: 344.75
Hydrophobic surface: 571.286	Hydrophilic surface: 94.46

Pharmacophoric Properties
Hydrogen bond donors: 0	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.