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PUBCHEM-ZINC05139943

 MMsINC code: MMs03211808
Type: Neutral
Formula: C7H10N2O4S2
SMILES:   S(=O)(=O)(CC)c1cccnc1S(=O)(=O)N
InChI:   InChI=1/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.5008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.299 g/mol  logS: -1.13251  SlogP: -0.4774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110516  Sterimol/B1: 2.62356  Sterimol/B2: 4.06699  Sterimol/B3: 4.17528
  Sterimol/B4: 5.59723  Sterimol/L: 11.2377 
 
 Surface and Volume Properties
  Accessible surface: 388.689  Positive charged surface: 219.082  Negative charged surface: 169.607  Volume: 189
  Hydrophobic surface: 200.011  Hydrophilic surface: 188.678
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs03211809
PUBCHEM-ZINC05139943