MMsINC Database Search


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MMsINC code: MMs03445429

Type: Neutral
Formula: C₁₀H₁₀FN₃O₂S₃

SMILES:

s1c(nnc1SCC)NS(=O)(=O)c1ccc(F)cc1

InChI:

InChI=1/C10H10FN3O2S3/c1-2-17-10-13-12-9(18-10)14-19(15,16)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.0455974 kcal/mol

Physical Properties
Molecular Weight: 319.405 g/mol	logS: -5.23026	SlogP: 2.59	Reactive groups: 0

Topological Properties
Globularity: 0.0602005	Sterimol/B1: 3.33105	Sterimol/B2: 4.07417	Sterimol/B3: 4.39177
Sterimol/B4: 5.37836	Sterimol/L: 14.411

Surface and Volume Properties
Accessible surface: 500.911	Positive charged surface: 223.607	Negative charged surface: 277.305	Volume: 248.125
Hydrophobic surface: 321.647	Hydrophilic surface: 179.264

Pharmacophoric Properties
Hydrogen bond donors: 1	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.