MMsINC Database Search


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MMsINC code: MMs00846234

Type: Neutral
Formula: C₁₀H₈FNO₂S₂

SMILES:

s1cccc1S(=O)(=O)Nc1ccccc1F

InChI:

InChI=1/C10H8FNO2S2/c11-8-4-1-2-5-9(8)12-16(13,14)10-6-3-7-15-10/h1-7,12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.0513 kcal/mol

Physical Properties
Molecular Weight: 257.309 g/mol	logS: -3.30671	SlogP: 2.688	Reactive groups: 0

Topological Properties
Globularity: 0.243482	Sterimol/B1: 2.84476	Sterimol/B2: 3.81855	Sterimol/B3: 5.08148
Sterimol/B4: 5.38302	Sterimol/L: 11.0791

Surface and Volume Properties
Accessible surface: 413.356	Positive charged surface: 174.652	Negative charged surface: 238.704	Volume: 204.25
Hydrophobic surface: 332.073	Hydrophilic surface: 81.283

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.