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NCID-ZINC01698525

 MMsINC code: MMs02328802
Type: Neutral
Formula: C9H16N2O5
SMILES:   O(C(=O)CNC(=O)NCC(OCC)=O)CC
InChI:   InChI=1/C9H16N2O5/c1-3-15-7(12)5-10-9(14)11-6-8(13)16-4-2/h3-6H2,1-2H3,(H2,10,11,14)

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Potential Energy
Epot(MMFF94)=4.39428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.236 g/mol  logS: -1.07509  SlogP: -0.5882  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.011976  Sterimol/B1: 2.37492  Sterimol/B2: 2.37588  Sterimol/B3: 3.07595
  Sterimol/B4: 3.74049  Sterimol/L: 19.0767 
 
 Surface and Volume Properties
  Accessible surface: 499.651  Positive charged surface: 364.017  Negative charged surface: 135.633  Volume: 219.125
  Hydrophobic surface: 284.227  Hydrophilic surface: 215.424
 
 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.