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PUBCHEM-ZINC05842359

 MMsINC code: MMs03411500
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-/m1/s1

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Potential Energy
Epot(MMFF94)=51.3591 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: 0.0873525  Sterimol/B1: 2.87752  Sterimol/B2: 4.1716  Sterimol/B3: 4.20681
  Sterimol/B4: 5.32681  Sterimol/L: 13.8848 
 
 Surface and Volume Properties
  Accessible surface: 449.576  Positive charged surface: 310.289  Negative charged surface: 139.287  Volume: 211.5
  Hydrophobic surface: 385.525  Hydrophilic surface: 64.051
 
 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.