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NCID-ZINC01644992

 MMsINC code: MMs02285982
Type: Neutral
Formula: C10H18N2O5
SMILES:   O(C(=O)C(NC(=O)NCC)C(OCC)=O)CC
InChI:   InChI=1/C10H18N2O5/c1-4-11-10(15)12-7(8(13)16-5-2)9(14)17-6-3/h7H,4-6H2,1-3H3,(H2,11,12,15)

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Potential Energy
Epot(MMFF94)=4.17742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.263 g/mol  logS: -1.4023  SlogP: -0.1997  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0437046  Sterimol/B1: 2.73941  Sterimol/B2: 3.34475  Sterimol/B3: 4.68617
  Sterimol/B4: 5.74797  Sterimol/L: 15.0854 
 
 Surface and Volume Properties
  Accessible surface: 510.317  Positive charged surface: 366.976  Negative charged surface: 143.341  Volume: 234.625
  Hydrophobic surface: 313.011  Hydrophilic surface: 197.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.