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PUBCHEM-ZINC06567514

 MMsINC code: MMs03801498
Type: Neutral
Formula: C11H10FNO2S
SMILES:   s1cc(c2cc(F)ccc12)CC(N)C(O)=O
InChI:   InChI=1/C11H10FNO2S/c12-7-1-2-10-8(4-7)6(5-16-10)3-9(13)11(14)15/h1-2,4-5,9H,3,13H2,(H,14,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=52.1371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.27 g/mol  logS: -2.90252  SlogP: 1.99477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582987  Sterimol/B1: 2.96816  Sterimol/B2: 3.0382  Sterimol/B3: 3.64601
  Sterimol/B4: 5.72973  Sterimol/L: 12.8101 
 
 Surface and Volume Properties
  Accessible surface: 406.971  Positive charged surface: 194.845  Negative charged surface: 209.359  Volume: 204.625
  Hydrophobic surface: 276.741  Hydrophilic surface: 130.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.