MMsINC Database Search


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

MMsINC code: MMs02625949

Type: Neutral
Formula: C₁₄H₁₃FO₂

SMILES:

Fc1ccc(OCCc2ccccc2O)cc1

InChI:

InChI=1/C14H13FO2/c15-12-5-7-13(8-6-12)17-10-9-11-3-1-2-4-14(11)16/h1-8,16H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.8642 kcal/mol

Physical Properties
Molecular Weight: 232.254 g/mol	logS: -3.19766	SlogP: 3.15277	Reactive groups: 0

Topological Properties
Globularity: 0.094654	Sterimol/B1: 2.44557	Sterimol/B2: 3.70607	Sterimol/B3: 4.06869
Sterimol/B4: 5.44471	Sterimol/L: 14.6255

Surface and Volume Properties
Accessible surface: 462.714	Positive charged surface: 252.864	Negative charged surface: 209.85	Volume: 225.375
Hydrophobic surface: 417.738	Hydrophilic surface: 44.976

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.