MMsINC Database Search


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MMsINC code: MMs00021015

Type: Neutral
Formula: C₁₂H₈F₂O

SMILES:

Fc1ccc(Oc2ccc(F)cc2)cc1

InChI:

InChI=1/C12H8F2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.4851 kcal/mol

Physical Properties
Molecular Weight: 206.191 g/mol	logS: -3.75755	SlogP: 3.7571	Reactive groups: 0

Topological Properties
Globularity: 0.133938	Sterimol/B1: 3.35221	Sterimol/B2: 3.6228	Sterimol/B3: 3.65694
Sterimol/B4: 4.52657	Sterimol/L: 12.3595

Surface and Volume Properties
Accessible surface: 392.11	Positive charged surface: 186.609	Negative charged surface: 205.501	Volume: 184.25
Hydrophobic surface: 392.11	Hydrophilic surface: 0

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