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NCID-ZINC05124524

 MMsINC code: MMs02443662
Type: Neutral
Formula: C10H19N3O6
SMILES:   O(CC)C(=O)NC(NC(OCC)=O)NC(OCC)=O
InChI:   InChI=1/C10H19N3O6/c1-4-17-8(14)11-7(12-9(15)18-5-2)13-10(16)19-6-3/h7H,4-6H2,1-3H3,(H,11,14)(H,12,15)(H,13,16)

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Potential Energy
Epot(MMFF94)=-96.9538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.277 g/mol  logS: -0.75683  SlogP: 0.5083  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.046828  Sterimol/B1: 2.63534  Sterimol/B2: 3.26959  Sterimol/B3: 4.08529
  Sterimol/B4: 8.83782  Sterimol/L: 16.5209 
 
 Surface and Volume Properties
  Accessible surface: 565.483  Positive charged surface: 426.209  Negative charged surface: 139.274  Volume: 253.25
  Hydrophobic surface: 329.783  Hydrophilic surface: 235.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.