MMsINC Database Search


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MMsINC code: MMs02980744

Type: Neutral
Formula: C₁₀H₁₁NO₄S₂

SMILES:

S(=O)(=O)(Nc1ccccc1)C=1CS(=O)(=O)CC=1

InChI:

InChI=1/C10H11NO4S2/c12-16(13)7-6-10(8-16)17(14,15)11-9-4-2-1-3-5-9/h1-6,11H,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.9812 kcal/mol

Physical Properties
Molecular Weight: 273.333 g/mol	logS: -2.05424	SlogP: 0.7406	Reactive groups: 0

Topological Properties
Globularity: 0.11122	Sterimol/B1: 2.62896	Sterimol/B2: 3.47927	Sterimol/B3: 4.12651
Sterimol/B4: 6.47061	Sterimol/L: 13.0762

Surface and Volume Properties
Accessible surface: 433.318	Positive charged surface: 208.806	Negative charged surface: 224.512	Volume: 215.5
Hydrophobic surface: 258.773	Hydrophilic surface: 174.545

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.