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OTAVA-ZINC05031814

 MMsINC code: MMs02588102
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)=64.8909 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: 0.0424187  Sterimol/B1: 2.56583  Sterimol/B2: 3.7299  Sterimol/B3: 4.04122
  Sterimol/B4: 4.7387  Sterimol/L: 18.392 
 
 Surface and Volume Properties
  Accessible surface: 535.959  Positive charged surface: 416.146  Negative charged surface: 119.813  Volume: 258.5
  Hydrophobic surface: 364.66  Hydrophilic surface: 171.299
 
 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.