MMsINC Database Search


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MMsINC code: MMs00020860

Type: Neutral
Formula: C₈H₈F₂O₂

SMILES:

Fc1cc(OC)c(OC)cc1F

InChI:

InChI=1/C8H8F2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.1757 kcal/mol

Physical Properties
Molecular Weight: 174.146 g/mol	logS: -2.0756	SlogP: 1.982	Reactive groups: 0

Topological Properties
Globularity: 0.0312541	Sterimol/B1: 2.37267	Sterimol/B2: 2.37922	Sterimol/B3: 2.49268
Sterimol/B4: 6.16646	Sterimol/L: 9.54506

Surface and Volume Properties
Accessible surface: 347.011	Positive charged surface: 233.728	Negative charged surface: 113.283	Volume: 147.875
Hydrophobic surface: 329.159	Hydrophilic surface: 17.852

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.