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AURORAFEINCHEMIE-ZINC04072331

 MMsINC code: MMs00465885
Type: Neutral
Formula: C14H14O2S
SMILES:   S(=O)(Cc1ccccc1)c1ccccc1OC
InChI:   InChI=1/C14H14O2S/c1-16-13-9-5-6-10-14(13)17(15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=66.5612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.33 g/mol  logS: -3.49333  SlogP: 3.2694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0285463  Sterimol/B1: 2.42747  Sterimol/B2: 2.84063  Sterimol/B3: 3.1458
  Sterimol/B4: 7.37961  Sterimol/L: 14.3934 
 
 Surface and Volume Properties
  Accessible surface: 473.532  Positive charged surface: 294.96  Negative charged surface: 178.572  Volume: 240.75
  Hydrophobic surface: 432.41  Hydrophilic surface: 41.122
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.