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ASINEX-ZINC02566854

 MMsINC code: MMs00274984
Type: Neutral
Formula: C10H7NO4S
SMILES:   S1\C(=C\c2cc(O)c(O)cc2)\C(=O)NC1=O
InChI:   InChI=1/C10H7NO4S/c12-6-2-1-5(3-7(6)13)4-8-9(14)11-10(15)16-8/h1-4,12-13H,(H,11,14,15)/b8-4+

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Potential Energy
Epot(MMFF94)=37.0276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.235 g/mol  logS: -2.36676  SlogP: 1.4217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0393976  Sterimol/B1: 2.16948  Sterimol/B2: 3.23023  Sterimol/B3: 3.39344
  Sterimol/B4: 4.59751  Sterimol/L: 13.2723 
 
 Surface and Volume Properties
  Accessible surface: 399.083  Positive charged surface: 203.582  Negative charged surface: 195.501  Volume: 191.875
  Hydrophobic surface: 141.299  Hydrophilic surface: 257.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.