MMsINC Database Search


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MMsINC code: MMs00620085

Type: Neutral
Formula: C₁₄H₁₂FNOS

SMILES:

S(CC(=O)Nc1ccccc1F)c1ccccc1

InChI:

InChI=1/C14H12FNOS/c15-12-8-4-5-9-13(12)16-14(17)10-18-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8026 kcal/mol

Physical Properties
Molecular Weight: 261.32 g/mol	logS: -4.69769	SlogP: 3.5565	Reactive groups: 0

Topological Properties
Globularity: 0.0114925	Sterimol/B1: 2.56244	Sterimol/B2: 2.58286	Sterimol/B3: 3.5426
Sterimol/B4: 4.38654	Sterimol/L: 16.6658

Surface and Volume Properties
Accessible surface: 485.805	Positive charged surface: 245.225	Negative charged surface: 240.58	Volume: 243
Hydrophobic surface: 411.481	Hydrophilic surface: 74.324

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.