MMsINC Database Search


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MMsINC code: MMs01520433

Type: Neutral
Formula: C₁₄H₁₂FNOS

SMILES:

S(CC(=O)Nc1ccccc1)c1ccc(F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6699 kcal/mol

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

Topological Properties
Globularity: 0.0124942	Sterimol/B1: 2.55374	Sterimol/B2: 2.6156	Sterimol/B3: 3.49246
Sterimol/B4: 4.17115	Sterimol/L: 16.9249

Surface and Volume Properties
Accessible surface: 481.786	Positive charged surface: 249.371	Negative charged surface: 232.415	Volume: 242.25
Hydrophobic surface: 404.442	Hydrophilic surface: 77.344

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.