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PUBCHEM-ZINC05495272

 MMsINC code: MMs03286249
Type: Neutral
Formula: C10H11NO2S
SMILES:   Sc1ccc(NC(=O)\C=C(/O)\C)cc1
InChI:   InChI=1/C10H11NO2S/c1-7(12)6-10(13)11-8-2-4-9(14)5-3-8/h2-6,12,14H,1H3,(H,11,13)/b7-6-

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Potential Energy
Epot(MMFF94)=37.4123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.269 g/mol  logS: -2.79221  SlogP: 2.3756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0185428  Sterimol/B1: 2.29701  Sterimol/B2: 2.64407  Sterimol/B3: 3.79292
  Sterimol/B4: 3.95454  Sterimol/L: 14.6151 
 
 Surface and Volume Properties
  Accessible surface: 418.888  Positive charged surface: 221.275  Negative charged surface: 197.613  Volume: 193.5
  Hydrophobic surface: 292.629  Hydrophilic surface: 126.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03286252
PUBCHEM-ZINC05495272


MMs03286253
PUBCHEM-ZINC05495272


MMs03286250
PUBCHEM-ZINC05495272


MMs03286251
PUBCHEM-ZINC05495272