MMsINC Database Search


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MMsINC code: MMs02264795

Type: Neutral
Formula: C₁₂H₈F₆O₂

SMILES:

FC(F)(F)C(=CC(=O)c1ccccc1OC)C(F)(F)F

InChI:

InChI=1/C12H8F6O2/c1-20-9-5-3-2-4-7(9)8(19)6-10(11(13,14)15)12(16,17)18/h2-6H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.208 kcal/mol

Physical Properties
Molecular Weight: 298.182 g/mol	logS: -4.42156	SlogP: 4.7687	Reactive groups: 1

Topological Properties
Globularity: 0.0281537	Sterimol/B1: 2.37469	Sterimol/B2: 2.56206	Sterimol/B3: 2.83995
Sterimol/B4: 7.36893	Sterimol/L: 12.3394

Surface and Volume Properties
Accessible surface: 448.648	Positive charged surface: 184.381	Negative charged surface: 264.267	Volume: 217.5
Hydrophobic surface: 245.232	Hydrophilic surface: 203.416

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.