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ENAMINE-ZINC06543413

 MMsINC code: MMs01669900
Type: Neutral
Formula: C17H13NO3S2
SMILES:   s1cccc1S(=O)(=O)NC1c2c(Oc3c1cccc3)cccc2
InChI:   InChI=1/C17H13NO3S2/c19-23(20,16-10-5-11-22-16)18-17-12-6-1-3-8-14(12)21-15-9-4-2-7-13(15)17/h1-11,17-18H

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Potential Energy
Epot(MMFF94)=41.5114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.427 g/mol  logS: -5.27262  SlogP: 4.0172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0963693  Sterimol/B1: 2.93806  Sterimol/B2: 3.06734  Sterimol/B3: 4.81214
  Sterimol/B4: 8.43487  Sterimol/L: 14.3051 
 
 Surface and Volume Properties
  Accessible surface: 519.952  Positive charged surface: 237.634  Negative charged surface: 282.318  Volume: 295.375
  Hydrophobic surface: 446.842  Hydrophilic surface: 73.11
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.