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CHEMBRIDGE-ZINC02873192

 MMsINC code: MMs00730892
Type: Neutral
Formula: C12H18N2O4S
SMILES:   s1c(ccc1C(=O)NCCOC)C(=O)NCCOC
InChI:   InChI=1/C12H18N2O4S/c1-17-7-5-13-11(15)9-3-4-10(19-9)12(16)14-6-8-18-2/h3-4H,5-8H2,1-2H3,(H,13,15)(H,14,16)

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Potential Energy
Epot(MMFF94)=30.065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.352 g/mol  logS: -1.92201  SlogP: 0.5005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347987  Sterimol/B1: 1.97718  Sterimol/B2: 2.47146  Sterimol/B3: 4.28593
  Sterimol/B4: 8.92207  Sterimol/L: 14.7151 
 
 Surface and Volume Properties
  Accessible surface: 570.691  Positive charged surface: 420.825  Negative charged surface: 149.866  Volume: 267.875
  Hydrophobic surface: 463.949  Hydrophilic surface: 106.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.