MMsINC Database Search


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MMsINC code: MMs00627140

Type: Neutral
Formula: C₁₆H₁₆FNO

SMILES:

Fc1ccc(cc1)CNC(=O)Cc1ccc(cc1)C

InChI:

InChI=1/C16H16FNO/c1-12-2-4-13(5-3-12)10-16(19)18-11-14-6-8-15(17)9-7-14/h2-9H,10-11H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.3115 kcal/mol

Physical Properties
Molecular Weight: 257.308 g/mol	logS: -4.12928	SlogP: 3.25939	Reactive groups: 0

Topological Properties
Globularity: 0.0354586	Sterimol/B1: 2.54661	Sterimol/B2: 3.61734	Sterimol/B3: 3.62095
Sterimol/B4: 3.83011	Sterimol/L: 17.6359

Surface and Volume Properties
Accessible surface: 525.023	Positive charged surface: 304.07	Negative charged surface: 220.954	Volume: 257.25
Hydrophobic surface: 477.515	Hydrophilic surface: 47.508

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.