MMsINC Database Search


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MMsINC code: MMs00713223

Type: Neutral
Formula: C₁₁H₈Cl₂F₄O₃

SMILES:

Clc1cc(Cl)ccc1OCC(OCC(F)(F)C(F)F)=O

InChI:

InChI=1/C11H8Cl2F4O3/c12-6-1-2-8(7(13)3-6)19-4-9(18)20-5-11(16,17)10(14)15/h1-3,10H,4-5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.265 kcal/mol

Physical Properties
Molecular Weight: 335.08 g/mol	logS: -4.54346	SlogP: 4.6556	Reactive groups: 1

Topological Properties
Globularity: 0.0285281	Sterimol/B1: 2.54676	Sterimol/B2: 3.03361	Sterimol/B3: 3.55177
Sterimol/B4: 6.47268	Sterimol/L: 16.1026

Surface and Volume Properties
Accessible surface: 508.611	Positive charged surface: 170.733	Negative charged surface: 337.878	Volume: 239.875
Hydrophobic surface: 327.602	Hydrophilic surface: 181.009

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.