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ASINEX-ZINC00073745

 MMsINC code: MMs00069503
Type: Neutral
Formula: C14H11NO3S2
SMILES:   s1cccc1S(=O)(=O)Nc1c2c(cccc2)c(O)cc1
InChI:   InChI=1/C14H11NO3S2/c16-13-8-7-12(10-4-1-2-5-11(10)13)15-20(17,18)14-6-3-9-19-14/h1-9,15-16H

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Potential Energy
Epot(MMFF94)=67.8843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.378 g/mol  logS: -4.52766  SlogP: 3.4077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.291503  Sterimol/B1: 2.56107  Sterimol/B2: 4.40326  Sterimol/B3: 4.47615
  Sterimol/B4: 7.32298  Sterimol/L: 11.5326 
 
 Surface and Volume Properties
  Accessible surface: 471.308  Positive charged surface: 219.333  Negative charged surface: 244.128  Volume: 255.625
  Hydrophobic surface: 349.506  Hydrophilic surface: 121.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.