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OTAVA-ZINC05031816

 MMsINC code: MMs02588103
Type: Neutral
Formula: C11H18N2O5S
SMILES:   S1CC(NC(=O)C1CC(=O)NCCOC)C(OC)=O
InChI:   InChI=1/C11H18N2O5S/c1-17-4-3-12-9(14)5-8-10(15)13-7(6-19-8)11(16)18-2/h7-8H,3-6H2,1-2H3,(H,12,14)(H,13,15)/t7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=65.1981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.34 g/mol  logS: -1.50913  SlogP: -1.0877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0710543  Sterimol/B1: 2.70288  Sterimol/B2: 3.19153  Sterimol/B3: 4.88146
  Sterimol/B4: 5.74715  Sterimol/L: 16.8148 
 
 Surface and Volume Properties
  Accessible surface: 531.469  Positive charged surface: 408.129  Negative charged surface: 123.34  Volume: 258.875
  Hydrophobic surface: 358.73  Hydrophilic surface: 172.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.