MMsINC Database Search


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MMsINC code: MMs02709718

Type: Neutral
Formula: C₁₆H₁₄F₂N₂O₂S

SMILES:

S(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C16H14F2N2O2S/c17-11-1-5-13(6-2-11)19-15(21)9-23-10-16(22)20-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8064 kcal/mol

Physical Properties
Molecular Weight: 336.362 g/mol	logS: -5.16524	SlogP: 3.2752	Reactive groups: 0

Topological Properties
Globularity: 0.0192518	Sterimol/B1: 2.17855	Sterimol/B2: 3.12004	Sterimol/B3: 3.67743
Sterimol/B4: 4.18683	Sterimol/L: 20.122

Surface and Volume Properties
Accessible surface: 583.886	Positive charged surface: 314.058	Negative charged surface: 269.828	Volume: 292.5
Hydrophobic surface: 465.61	Hydrophilic surface: 118.276

Pharmacophoric Properties
Hydrogen bond donors: 2	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.