MMsINC Database Search


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

MMsINC code: MMs02550904

Type: Neutral
Formula: C₁₃H₁₁FO

SMILES:

Fc1cc(ccc1)COc1ccccc1

InChI:

InChI=1/C13H11FO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.0355 kcal/mol

Physical Properties
Molecular Weight: 202.228 g/mol	logS: -3.49814	SlogP: 3.6711	Reactive groups: 0

Topological Properties
Globularity: 0.0927061	Sterimol/B1: 3.58356	Sterimol/B2: 3.67683	Sterimol/B3: 3.79893
Sterimol/B4: 3.91006	Sterimol/L: 14.1205

Surface and Volume Properties
Accessible surface: 427.486	Positive charged surface: 218.548	Negative charged surface: 208.938	Volume: 199.5
Hydrophobic surface: 416.954	Hydrophilic surface: 10.532

Pharmacophoric Properties
Hydrogen bond donors: 0	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.