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IBS-ZINC02335802

 MMsINC code: MMs01835821
Type: Neutral
Formula: C16H20N2O5S
SMILES:   S(Oc1ccccc1)(=O)(=O)CCN1C(=O)C2(NC1=O)CCCCC2
InChI:   InChI=1/C16H20N2O5S/c19-14-16(9-5-2-6-10-16)17-15(20)18(14)11-12-24(21,22)23-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,20)

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Potential Energy
Epot(MMFF94)=35.2086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.411 g/mol  logS: -3.57344  SlogP: 1.6499  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0657555  Sterimol/B1: 2.46596  Sterimol/B2: 3.56317  Sterimol/B3: 3.94605
  Sterimol/B4: 7.26498  Sterimol/L: 16.273 
 
 Surface and Volume Properties
  Accessible surface: 570.895  Positive charged surface: 326.828  Negative charged surface: 244.067  Volume: 308.125
  Hydrophobic surface: 414.557  Hydrophilic surface: 156.338
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.