MMsINC Database Search


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MMsINC code: MMs00020508

Type: Neutral
Formula: C₈H₆F₄O

SMILES:

FC(F)(Oc1ccccc1)C(F)F

InChI:

InChI=1/C8H6F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h1-5,7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4506 kcal/mol

Physical Properties
Molecular Weight: 194.127 g/mol	logS: -2.72267	SlogP: 3.7631	Reactive groups: 0

Topological Properties
Globularity: 0.0384359	Sterimol/B1: 2.6158	Sterimol/B2: 2.66088	Sterimol/B3: 3.50237
Sterimol/B4: 4.23531	Sterimol/L: 11.3151

Surface and Volume Properties
Accessible surface: 345.93	Positive charged surface: 132.646	Negative charged surface: 213.284	Volume: 146.75
Hydrophobic surface: 210.586	Hydrophilic surface: 135.344

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.