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PUBCHEM-ZINC05839030

 MMsINC code: MMs03409649
Type: Neutral
Formula: C9H16N2O5
SMILES:   O(C(N(N=O)CC(OC)=O)CCC)C(=O)C
InChI:   InChI=1/C9H16N2O5/c1-4-5-8(16-7(2)12)11(10-14)6-9(13)15-3/h8H,4-6H2,1-3H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=33.5466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.236 g/mol  logS: -1.53946  SlogP: 0.8321  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.13632  Sterimol/B1: 2.14655  Sterimol/B2: 2.90893  Sterimol/B3: 4.78191
  Sterimol/B4: 8.84134  Sterimol/L: 12.2833 
 
 Surface and Volume Properties
  Accessible surface: 464.985  Positive charged surface: 309.243  Negative charged surface: 155.742  Volume: 215
  Hydrophobic surface: 380.773  Hydrophilic surface: 84.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.