MMsINC Database Search


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MMsINC code: MMs00056050

Type: Neutral
Formula: C₉H₆F₆O₂

SMILES:

FC(F)(F)C(O)(C(F)(F)F)c1ccc(O)cc1

InChI:

InChI=1/C9H6F6O2/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h1-4,16-17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0445 kcal/mol

Physical Properties
Molecular Weight: 260.133 g/mol	logS: -2.95993	SlogP: 3.8557	Reactive groups: 0

Topological Properties
Globularity: 0.182018	Sterimol/B1: 2.46853	Sterimol/B2: 3.69668	Sterimol/B3: 4.03258
Sterimol/B4: 4.99331	Sterimol/L: 10.8692

Surface and Volume Properties
Accessible surface: 368.554	Positive charged surface: 121.926	Negative charged surface: 246.628	Volume: 175
Hydrophobic surface: 121.527	Hydrophilic surface: 247.027

Pharmacophoric Properties
Hydrogen bond donors: 2	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.