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NCID-ZINC01761384

 MMsINC code: MMs02367468
Type: Neutral
Formula: C11H18N2O4S
SMILES:   S1CC(N(C=O)C1(C)C)C(=O)NC(C(OC)=O)C
InChI:   InChI=1/C11H18N2O4S/c1-7(10(16)17-4)12-9(15)8-5-18-11(2,3)13(8)6-14/h6-8H,5H2,1-4H3,(H,12,15)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=64.889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.341 g/mol  logS: -2.31245  SlogP: -0.026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.069098  Sterimol/B1: 2.03721  Sterimol/B2: 3.61825  Sterimol/B3: 3.62852
  Sterimol/B4: 6.27558  Sterimol/L: 15.3166 
 
 Surface and Volume Properties
  Accessible surface: 487.219  Positive charged surface: 337.826  Negative charged surface: 149.393  Volume: 252.875
  Hydrophobic surface: 300.016  Hydrophilic surface: 187.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.