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NCID-ZINC05351242

 MMsINC code: MMs02453967
Type: Neutral
Formula: C16H26N2O6S
SMILES:   S1CC(N(C=O)C1(C)C)C(=O)NC(CCC(OCC)=O)C(OCC)=O
InChI:   InChI=1/C16H26N2O6S/c1-5-23-13(20)8-7-11(15(22)24-6-2)17-14(21)12-9-25-16(3,4)18(12)10-19/h10-12H,5-9H2,1-4H3,(H,17,21)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=68.5156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.458 g/mol  logS: -3.13152  SlogP: 0.6875  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.070834  Sterimol/B1: 2.08453  Sterimol/B2: 3.43469  Sterimol/B3: 4.1964
  Sterimol/B4: 12.918  Sterimol/L: 16.0531 
 
 Surface and Volume Properties
  Accessible surface: 663.803  Positive charged surface: 459.785  Negative charged surface: 204.018  Volume: 348.25
  Hydrophobic surface: 418.914  Hydrophilic surface: 244.889
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.