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ASINEX-ZINC00170565

 MMsINC code: MMs00083800
Type: Neutral
Formula: C10H9NO3S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccc(O)cc1
InChI:   InChI=1/C10H9NO3S2/c12-9-5-3-8(4-6-9)11-16(13,14)10-2-1-7-15-10/h1-7,11-12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.318 g/mol  logS: -2.64978  SlogP: 2.2545  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1609  Sterimol/B1: 2.37789  Sterimol/B2: 2.48241  Sterimol/B3: 4.26225
  Sterimol/B4: 6.39688  Sterimol/L: 12 
 
 Surface and Volume Properties
  Accessible surface: 423.168  Positive charged surface: 200.802  Negative charged surface: 222.366  Volume: 210
  Hydrophobic surface: 284.357  Hydrophilic surface: 138.811
 
 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.