MMsINC Database Search


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

MMsINC code: MMs00020421

Type: Neutral
Formula: C₈H₈F₂O₂

SMILES:

FC(F)Oc1ccc(cc1)CO

InChI:

InChI=1/C8H8F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.2228 kcal/mol

Physical Properties
Molecular Weight: 174.146 g/mol	logS: -1.29015	SlogP: 2.4666	Reactive groups: 0

Topological Properties
Globularity: 0.0476286	Sterimol/B1: 2.49212	Sterimol/B2: 2.80426	Sterimol/B3: 2.91209
Sterimol/B4: 4.85218	Sterimol/L: 11.7008

Surface and Volume Properties
Accessible surface: 343.055	Positive charged surface: 190.748	Negative charged surface: 152.307	Volume: 146.125
Hydrophobic surface: 192.056	Hydrophilic surface: 150.999

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.