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ASINEX-ZINC06680554

 MMsINC code: MMs00444340
Type: Neutral
Formula: C10H14N2O3S2
SMILES:   s1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NC
InChI:   InChI=1/C10H14N2O3S2/c1-11-10(13)9-6-8(7-16-9)17(14,15)12-4-2-3-5-12/h6-7H,2-5H2,1H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=10.8262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.365 g/mol  logS: -1.80362  SlogP: 0.8922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0963901  Sterimol/B1: 3.2502  Sterimol/B2: 3.33022  Sterimol/B3: 4.74079
  Sterimol/B4: 5.34209  Sterimol/L: 14.4719 
 
 Surface and Volume Properties
  Accessible surface: 465.769  Positive charged surface: 289.603  Negative charged surface: 176.167  Volume: 233.875
  Hydrophobic surface: 352.416  Hydrophilic surface: 113.353
 
 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.