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IFLAB-ZINC04517768

 MMsINC code: MMs02057255
Type: Neutral
Formula: C11H10N2O3S2
SMILES:   s1ccnc1NC(=O)c1ccccc1S(=O)(=O)C
InChI:   InChI=1/C11H10N2O3S2/c1-18(15,16)9-5-3-2-4-8(9)10(14)13-11-12-6-7-17-11/h2-7H,1H3,(H,12,13,14)

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Potential Energy
Epot(MMFF94)=74.7848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.344 g/mol  logS: -2.96693  SlogP: 1.7989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0421194  Sterimol/B1: 2.31512  Sterimol/B2: 2.53725  Sterimol/B3: 4.39908
  Sterimol/B4: 7.46906  Sterimol/L: 13.502 
 
 Surface and Volume Properties
  Accessible surface: 447.813  Positive charged surface: 227.579  Negative charged surface: 220.234  Volume: 229.375
  Hydrophobic surface: 338.921  Hydrophilic surface: 108.892
 
 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.