MMsINC Database Search


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MMsINC code: MMs00053761

Type: Neutral
Formula: C₇H₆F₂O₂

SMILES:

FC(F)Oc1ccccc1O

InChI:

InChI=1/C7H6F2O2/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7,10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.3975 kcal/mol

Physical Properties
Molecular Weight: 160.119 g/mol	logS: -1.15718	SlogP: 2.4135	Reactive groups: 0

Topological Properties
Globularity: 0.044987	Sterimol/B1: 2.59941	Sterimol/B2: 2.66984	Sterimol/B3: 3.32249
Sterimol/B4: 5.12532	Sterimol/L: 9.69117

Surface and Volume Properties
Accessible surface: 314.608	Positive charged surface: 159.389	Negative charged surface: 155.219	Volume: 130.625
Hydrophobic surface: 178.484	Hydrophilic surface: 136.124

Pharmacophoric Properties
Hydrogen bond donors: 1	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.