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MMsINC code: MMs02136394

Type: Neutral
Formula: C₁₂H₁₂N₂O₃S₂

SMILES:

s1c(ccc1S(=O)(=O)N)CNC(=O)c1ccccc1

InChI:

InChI=1/C12H12N2O3S2/c13-19(16,17)11-7-6-10(18-11)8-14-12(15)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)(H2,13,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.508 kcal/mol

Physical Properties
Molecular Weight: 296.371 g/mol	logS: -3.64345	SlogP: 1.5919	Reactive groups: 0

Topological Properties
Globularity: 0.0407979	Sterimol/B1: 3.01694	Sterimol/B2: 3.48868	Sterimol/B3: 3.68587
Sterimol/B4: 5.61459	Sterimol/L: 16.6731

Surface and Volume Properties
Accessible surface: 513.643	Positive charged surface: 242.224	Negative charged surface: 271.419	Volume: 248.125
Hydrophobic surface: 331.641	Hydrophilic surface: 182.002

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02136395
MAYBRIDGE-ZINC00126557