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NCID-ZINC01559287

 MMsINC code: MMs02222102
Type: Neutral
Formula: C14H14O4S
SMILES:   S(=O)(=O)(c1ccccc1CO)c1ccccc1CO
InChI:   InChI=1/C14H14O4S/c15-9-11-5-1-3-7-13(11)19(17,18)14-8-4-2-6-12(14)10-16/h1-8,15-16H,9-10H2

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Potential Energy
Epot(MMFF94)=69.0212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.328 g/mol  logS: -2.89147  SlogP: 2.0368  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.2092  Sterimol/B1: 2.12901  Sterimol/B2: 5.05449  Sterimol/B3: 5.1717
  Sterimol/B4: 5.54531  Sterimol/L: 11.9744 
 
 Surface and Volume Properties
  Accessible surface: 454.025  Positive charged surface: 246.76  Negative charged surface: 207.265  Volume: 246.625
  Hydrophobic surface: 299.984  Hydrophilic surface: 154.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.