MMsINC Database Search


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MMsINC code: MMs00099261

Type: Neutral
Formula: C₁₁H₁₀FNO₂S₂

SMILES:

s1cccc1S(=O)(=O)NCc1ccc(F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.7604 kcal/mol

Physical Properties
Molecular Weight: 271.336 g/mol	logS: -3.25075	SlogP: 2.6321	Reactive groups: 0

Topological Properties
Globularity: 0.0826761	Sterimol/B1: 3.11559	Sterimol/B2: 3.63263	Sterimol/B3: 3.97028
Sterimol/B4: 5.51438	Sterimol/L: 13.9157

Surface and Volume Properties
Accessible surface: 456.168	Positive charged surface: 192.481	Negative charged surface: 263.687	Volume: 225.25
Hydrophobic surface: 369.519	Hydrophilic surface: 86.649

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.