MMsINC Database Search


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

MMsINC code: MMs01364166

Type: Neutral
Formula: C₂₀H₁₆FNO₄

SMILES:

Fc1ccc(cc1)C(=O)c1ccc(OCC(=O)NCc2occc2)cc1

InChI:

InChI=1/C20H16FNO4/c21-16-7-3-14(4-8-16)20(24)15-5-9-17(10-6-15)26-13-19(23)22-12-18-2-1-11-25-18/h1-11H,12-13H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5859 kcal/mol

Physical Properties
Molecular Weight: 353.349 g/mol	logS: -5.49509	SlogP: 3.6113	Reactive groups: 0

Topological Properties
Globularity: 0.0207949	Sterimol/B1: 3.33057	Sterimol/B2: 3.37164	Sterimol/B3: 3.59788
Sterimol/B4: 4.91081	Sterimol/L: 21.0464

Surface and Volume Properties
Accessible surface: 622.732	Positive charged surface: 321.446	Negative charged surface: 301.287	Volume: 324.75
Hydrophobic surface: 508.881	Hydrophilic surface: 113.851

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.