MMsINC Database Search


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MMsINC code: MMs01289879

Type: Neutral
Formula: C₉H₁₀N₂O₄S₂

SMILES:

S(=O)(=O)(NC(=O)CSC(=O)N)c1ccccc1

InChI:

InChI=1/C9H10N2O4S2/c10-9(13)16-6-8(12)11-17(14,15)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13)(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-16.87 kcal/mol

Physical Properties
Molecular Weight: 274.321 g/mol	logS: -3.13646	SlogP: 0.3034	Reactive groups: 0

Topological Properties
Globularity: 0.094741	Sterimol/B1: 2.40637	Sterimol/B2: 3.15221	Sterimol/B3: 4.50173
Sterimol/B4: 6.61239	Sterimol/L: 13.7073

Surface and Volume Properties
Accessible surface: 458.347	Positive charged surface: 228.829	Negative charged surface: 229.518	Volume: 218.375
Hydrophobic surface: 210.919	Hydrophilic surface: 247.428

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.