MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00006313

Type: Neutral
Formula: C₇H₅F₃O

SMILES:

FC(F)(F)c1ccccc1O

InChI:

InChI=1/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.4025 kcal/mol

Physical Properties
Molecular Weight: 162.11 g/mol	logS: -2.07948	SlogP: 2.7225	Reactive groups: 0

Topological Properties
Globularity: 0.0588508	Sterimol/B1: 2.46357	Sterimol/B2: 2.66926	Sterimol/B3: 2.80669
Sterimol/B4: 5.03475	Sterimol/L: 8.86033

Surface and Volume Properties
Accessible surface: 304.282	Positive charged surface: 115.022	Negative charged surface: 189.26	Volume: 125.75
Hydrophobic surface: 164.441	Hydrophilic surface: 139.841

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.