MMsINC Database Search


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MMsINC code: MMs02551167

Type: Neutral
Formula: C₈H₉FO₂S

SMILES:

S(=O)(=O)(Cc1ccccc1F)C

InChI:

InChI=1/C8H9FO2S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.4892 kcal/mol

Physical Properties
Molecular Weight: 188.222 g/mol	logS: -1.76459	SlogP: 1.6367	Reactive groups: 0

Topological Properties
Globularity: 0.0823459	Sterimol/B1: 2.94734	Sterimol/B2: 3.15751	Sterimol/B3: 3.61196
Sterimol/B4: 3.87413	Sterimol/L: 11.564

Surface and Volume Properties
Accessible surface: 352.297	Positive charged surface: 177.116	Negative charged surface: 175.181	Volume: 161.25
Hydrophobic surface: 293.424	Hydrophilic surface: 58.873

Pharmacophoric Properties
Hydrogen bond donors: 0	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.