MMsINC Database Search


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MMsINC code: MMs03538558

Type: Neutral
Formula: C₈H₆F₄O

SMILES:

FC(F)(C(F)F)c1cc(O)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.0144 kcal/mol

Physical Properties
Molecular Weight: 194.127 g/mol	logS: -2.22794	SlogP: 3.4805	Reactive groups: 0

Topological Properties
Globularity: 0.112	Sterimol/B1: 2.47068	Sterimol/B2: 2.75997	Sterimol/B3: 3.07256
Sterimol/B4: 5.2086	Sterimol/L: 10.3029

Surface and Volume Properties
Accessible surface: 336.354	Positive charged surface: 135.034	Negative charged surface: 201.32	Volume: 146
Hydrophobic surface: 157.233	Hydrophilic surface: 179.121

Pharmacophoric Properties
Hydrogen bond donors: 1	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.