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NCID-ZINC02516097

 MMsINC code: MMs02380227
Type: Neutral
Formula: C10H16N2O4S
SMILES:   S1CC(N(C=O)C1(C)C)C(=O)NCC(OC)=O
InChI:   InChI=1/C10H16N2O4S/c1-10(2)12(6-13)7(5-17-10)9(15)11-4-8(14)16-3/h6-7H,4-5H2,1-3H3,(H,11,15)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=63.5929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.314 g/mol  logS: -1.98524  SlogP: -0.4145  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0786054  Sterimol/B1: 2.35994  Sterimol/B2: 3.6276  Sterimol/B3: 4.4992
  Sterimol/B4: 4.88799  Sterimol/L: 15.3057 
 
 Surface and Volume Properties
  Accessible surface: 471.031  Positive charged surface: 329.541  Negative charged surface: 141.49  Volume: 233.75
  Hydrophobic surface: 277.518  Hydrophilic surface: 193.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.