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ASINEX-ZINC00241811

 MMsINC code: MMs00097431
Type: Neutral
Formula: C13H13NO4S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccccc1C(OCC)=O
InChI:   InChI=1/C13H13NO4S2/c1-2-18-13(15)10-6-3-4-7-11(10)14-20(16,17)12-8-5-9-19-12/h3-9,14H,2H2,1H3

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Potential Energy
Epot(MMFF94)=56.1016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.382 g/mol  logS: -3.72067  SlogP: 2.7256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205866  Sterimol/B1: 3.96663  Sterimol/B2: 4.02062  Sterimol/B3: 5.11679
  Sterimol/B4: 6.52603  Sterimol/L: 12.9437 
 
 Surface and Volume Properties
  Accessible surface: 509.55  Positive charged surface: 266.815  Negative charged surface: 242.735  Volume: 263.875
  Hydrophobic surface: 388.61  Hydrophilic surface: 120.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.