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IBS-ZINC02417868

 MMsINC code: MMs01857421
Type: Neutral
Formula: C10H20N2O4
SMILES:   O(C(=O)C(NC(=O)NCCOC)C(C)C)C
InChI:   InChI=1/C10H20N2O4/c1-7(2)8(9(13)16-4)12-10(14)11-5-6-15-3/h7-8H,5-6H2,1-4H3,(H2,11,12,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=19.5411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -0.88589  SlogP: 0.1296  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0975512  Sterimol/B1: 2.08701  Sterimol/B2: 3.24231  Sterimol/B3: 5.31276
  Sterimol/B4: 5.51311  Sterimol/L: 15.4879 
 
 Surface and Volume Properties
  Accessible surface: 490.272  Positive charged surface: 400.1  Negative charged surface: 90.1716  Volume: 230.125
  Hydrophobic surface: 359.522  Hydrophilic surface: 130.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.