MMsINC Database Search


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MMsINC code: MMs02249687

Type: Neutral
Formula: C₁₂H₈F₂O

SMILES:

Fc1cc(O)c(cc1)-c1ccc(F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.2958 kcal/mol

Physical Properties
Molecular Weight: 206.191 g/mol	logS: -4.03927	SlogP: 3.3374	Reactive groups: 0

Topological Properties
Globularity: 0.0549017	Sterimol/B1: 2.16755	Sterimol/B2: 2.44125	Sterimol/B3: 3.1952
Sterimol/B4: 5.21103	Sterimol/L: 12.7177

Surface and Volume Properties
Accessible surface: 383.286	Positive charged surface: 179.643	Negative charged surface: 198.356	Volume: 184.75
Hydrophobic surface: 346.442	Hydrophilic surface: 36.844

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.