MMsINC Database Search


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MMsINC code: MMs00582395

Type: Neutral
Formula: C₁₆H₁₆FNO₂

SMILES:

Fc1ccccc1C(=O)NCCOCc1ccccc1

InChI:

InChI=1/C16H16FNO2/c17-15-9-5-4-8-14(15)16(19)18-10-11-20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2749 kcal/mol

Physical Properties
Molecular Weight: 273.307 g/mol	logS: -3.73653	SlogP: 3.0387	Reactive groups: 0

Topological Properties
Globularity: 0.0766367	Sterimol/B1: 2.65722	Sterimol/B2: 2.80494	Sterimol/B3: 4.23791
Sterimol/B4: 7.18938	Sterimol/L: 15.0661

Surface and Volume Properties
Accessible surface: 539.42	Positive charged surface: 318.967	Negative charged surface: 220.453	Volume: 266
Hydrophobic surface: 490.502	Hydrophilic surface: 48.918

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

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Ions/Tautomers related molecules: no related molecules available.