MMsINC Database Search


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MMsINC code: MMs02688186

Type: Neutral
Formula: C₁₁H₁₀FNO₂S₂

SMILES:

s1cccc1CNS(=O)(=O)c1ccc(F)cc1

InChI:

InChI=1/C11H10FNO2S2/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h1-7,13H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.93961 kcal/mol

Physical Properties
Molecular Weight: 271.336 g/mol	logS: -3.09241	SlogP: 2.6321	Reactive groups: 0

Topological Properties
Globularity: 0.125768	Sterimol/B1: 2.38505	Sterimol/B2: 3.40967	Sterimol/B3: 4.13139
Sterimol/B4: 5.67761	Sterimol/L: 14.1839

Surface and Volume Properties
Accessible surface: 457.919	Positive charged surface: 191.051	Negative charged surface: 266.868	Volume: 224.125
Hydrophobic surface: 372.125	Hydrophilic surface: 85.794

Pharmacophoric Properties
Hydrogen bond donors: 1	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.