MMsINC Database Search


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

MMsINC code: MMs02792063

Type: Neutral
Formula: C₁₃H₁₁FO

SMILES:

Fc1cc(ccc1)-c1ccc(cc1)CO

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.3642 kcal/mol

Physical Properties
Molecular Weight: 202.228 g/mol	logS: -3.87726	SlogP: 3.2514	Reactive groups: 0

Topological Properties
Globularity: 0.0144113	Sterimol/B1: 2.32351	Sterimol/B2: 2.42218	Sterimol/B3: 2.82837
Sterimol/B4: 5.06008	Sterimol/L: 13.8851

Surface and Volume Properties
Accessible surface: 412.195	Positive charged surface: 209.113	Negative charged surface: 192.01	Volume: 198.5
Hydrophobic surface: 347.785	Hydrophilic surface: 64.41

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.