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PUBCHEM-ZINC06581253

 MMsINC code: MMs03807496
Type: Neutral
Formula: C11H11NO2S
SMILES:   S1CCOC=C1C(=O)Nc1ccccc1
InChI:   InChI=1/C11H11NO2S/c13-11(10-8-14-6-7-15-10)12-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,13)

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Potential Energy
Epot(MMFF94)=68.9963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.28 g/mol  logS: -3.08667  SlogP: 2.2299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300801  Sterimol/B1: 2.93493  Sterimol/B2: 3.07911  Sterimol/B3: 3.47999
  Sterimol/B4: 3.99199  Sterimol/L: 14.1589 
 
 Surface and Volume Properties
  Accessible surface: 418.516  Positive charged surface: 242.418  Negative charged surface: 176.098  Volume: 203.25
  Hydrophobic surface: 330.202  Hydrophilic surface: 88.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.