MMsINC Database Search


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MMsINC code: MMs02036270

Type: Neutral
Formula: C₁₃H₁₃FN₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(S(=O)(=O)NC)cc1)c1ccc(F)cc1

InChI:

InChI=1/C13H13FN2O4S2/c1-15-21(17,18)12-8-4-11(5-9-12)16-22(19,20)13-6-2-10(14)3-7-13/h2-9,15-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.3765 kcal/mol

Physical Properties
Molecular Weight: 344.387 g/mol	logS: -3.17968	SlogP: 1.5346	Reactive groups: 0

Topological Properties
Globularity: 0.12709	Sterimol/B1: 3.20556	Sterimol/B2: 4.49438	Sterimol/B3: 4.53412
Sterimol/B4: 5.05978	Sterimol/L: 14.5264

Surface and Volume Properties
Accessible surface: 519.324	Positive charged surface: 267.977	Negative charged surface: 251.347	Volume: 273.875
Hydrophobic surface: 348.022	Hydrophilic surface: 171.302

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.