MMsINC Database Search


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MMsINC code: MMs01232305

Type: Neutral
Formula: C₁₆H₁₆FNO

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccc(cc1C)C

InChI:

InChI=1/C16H16FNO/c1-11-3-8-15(12(2)9-11)16(19)18-10-13-4-6-14(17)7-5-13/h3-9H,10H2,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.5089 kcal/mol

Physical Properties
Molecular Weight: 257.308 g/mol	logS: -4.54173	SlogP: 3.63894	Reactive groups: 0

Topological Properties
Globularity: 0.0585737	Sterimol/B1: 2.41925	Sterimol/B2: 3.64198	Sterimol/B3: 3.70976
Sterimol/B4: 6.44631	Sterimol/L: 15.5147

Surface and Volume Properties
Accessible surface: 502.919	Positive charged surface: 288.477	Negative charged surface: 214.441	Volume: 256.5
Hydrophobic surface: 468.88	Hydrophilic surface: 34.039

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.