MMsINC Database Search


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

MMsINC code: MMs01442791

Type: Neutral
Formula: C₁₈H₁₃FO₃

SMILES:

Fc1ccccc1COC(=O)c1ccc2c(cccc2)c1O

InChI:

InChI=1/C18H13FO3/c19-16-8-4-2-6-13(16)11-22-18(21)15-10-9-12-5-1-3-7-14(12)17(15)20/h1-10,20H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.9919 kcal/mol

Physical Properties
Molecular Weight: 296.297 g/mol	logS: -5.34542	SlogP: 4.3079	Reactive groups: 0

Topological Properties
Globularity: 0.00362035	Sterimol/B1: 2.3234	Sterimol/B2: 2.42604	Sterimol/B3: 3.31641
Sterimol/B4: 5.31401	Sterimol/L: 16.9608

Surface and Volume Properties
Accessible surface: 526.659	Positive charged surface: 268.07	Negative charged surface: 247.518	Volume: 274.875
Hydrophobic surface: 453.837	Hydrophilic surface: 72.822

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.