MMsINC Database Search


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MMsINC code: MMs02652870

Type: Neutral
Formula: C₁₃H₁₃FN₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(F)cc1)c1ccc(NS(=O)(=O)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.0195 kcal/mol

Physical Properties
Molecular Weight: 344.387 g/mol	logS: -3.17968	SlogP: 1.998	Reactive groups: 0

Topological Properties
Globularity: 0.128061	Sterimol/B1: 2.49609	Sterimol/B2: 4.02903	Sterimol/B3: 4.96265
Sterimol/B4: 6.23675	Sterimol/L: 14

Surface and Volume Properties
Accessible surface: 517.002	Positive charged surface: 250.344	Negative charged surface: 266.658	Volume: 276
Hydrophobic surface: 343.045	Hydrophilic surface: 173.957

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.