MMsINC Database Search


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MMsINC code: MMs00069831

Type: Neutral
Formula: C₁₁H₁₀FNO₂S₂

SMILES:

s1cccc1CNS(=O)(=O)c1ccccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.34607 kcal/mol

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

Topological Properties
Globularity: 0.0996028	Sterimol/B1: 2.57679	Sterimol/B2: 2.97541	Sterimol/B3: 3.77702
Sterimol/B4: 6.00236	Sterimol/L: 13.9868

Surface and Volume Properties
Accessible surface: 451.885	Positive charged surface: 186.086	Negative charged surface: 265.799	Volume: 221
Hydrophobic surface: 366.159	Hydrophilic surface: 85.726

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.