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ACROSORGANICS-ZINC00037290

 MMsINC code: MMs00002903
Type: Neutral
Formula: C12H10O4S
SMILES:   S(c1ccc(O)cc1O)c1ccc(O)cc1O
InChI:   InChI=1/C12H10O4S/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,13-16H

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Potential Energy
Epot(MMFF94)=60.7847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.274 g/mol  logS: -2.78234  SlogP: 2.6602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130232  Sterimol/B1: 2.71384  Sterimol/B2: 3.90582  Sterimol/B3: 4.38373
  Sterimol/B4: 4.9944  Sterimol/L: 12.868 
 
 Surface and Volume Properties
  Accessible surface: 447.962  Positive charged surface: 256.147  Negative charged surface: 191.815  Volume: 215.25
  Hydrophobic surface: 229.453  Hydrophilic surface: 218.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.