MMsINC Database Search


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MMsINC code: MMs00829322

Type: Neutral
Formula: C₁₆H₁₄FNO

SMILES:

Fc1ccccc1C(=O)N1CCc2c(C1)cccc2

InChI:

InChI=1/C16H14FNO/c17-15-8-4-3-7-14(15)16(19)18-10-9-12-5-1-2-6-13(12)11-18/h1-8H,9-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5682 kcal/mol

Physical Properties
Molecular Weight: 255.292 g/mol	logS: -3.67177	SlogP: 3.29057	Reactive groups: 0

Topological Properties
Globularity: 0.11998	Sterimol/B1: 2.91743	Sterimol/B2: 3.48402	Sterimol/B3: 4.09441
Sterimol/B4: 6.04796	Sterimol/L: 13.2421

Surface and Volume Properties
Accessible surface: 467.883	Positive charged surface: 264.441	Negative charged surface: 203.441	Volume: 245.625
Hydrophobic surface: 436.542	Hydrophilic surface: 31.341

Pharmacophoric Properties
Hydrogen bond donors: 0	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.