MMsINC Database Search


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MMsINC code: MMs00615586

Type: Neutral
Formula: C₁₆H₁₆FNO

SMILES:

Fc1ccc(cc1)CC(=O)NCCc1ccccc1

InChI:

InChI=1/C16H16FNO/c17-15-8-6-14(7-9-15)12-16(19)18-11-10-13-4-2-1-3-5-13/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)=50.1724 kcal/mol

Physical Properties
Molecular Weight: 257.308 g/mol	logS: -3.71683	SlogP: 2.72704	Reactive groups: 0

Topological Properties
Globularity: 0.068671	Sterimol/B1: 2.35802	Sterimol/B2: 3.61926	Sterimol/B3: 3.61979
Sterimol/B4: 4.62149	Sterimol/L: 16.8395

Surface and Volume Properties
Accessible surface: 520.919	Positive charged surface: 302.383	Negative charged surface: 218.536	Volume: 258.125
Hydrophobic surface: 477.157	Hydrophilic surface: 43.762

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

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Ions/Tautomers related molecules: no related molecules available.