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NCID-ZINC01715398

 MMsINC code: MMs02341263
Type: Neutral
Formula: C10H20N2O4
SMILES:   OC(CNC(=O)C(=O)NCC(O)(C)C)(C)C
InChI:   InChI=1/C10H20N2O4/c1-9(2,15)5-11-7(13)8(14)12-6-10(3,4)16/h15-16H,5-6H2,1-4H3,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=58.2138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -0.83944  SlogP: -1.2394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464562  Sterimol/B1: 2.56507  Sterimol/B2: 3.12588  Sterimol/B3: 3.47237
  Sterimol/B4: 4.22808  Sterimol/L: 15.7948 
 
 Surface and Volume Properties
  Accessible surface: 482.383  Positive charged surface: 324.207  Negative charged surface: 158.176  Volume: 228.25
  Hydrophobic surface: 241.396  Hydrophilic surface: 240.987
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.