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PUBCHEM-ZINC05998885

 MMsINC code: MMs03482921
Type: Neutral
Formula: C8H16N2O4
SMILES:   O(CCCNC(=O)NC(C(O)=O)C)C
InChI:   InChI=1/C8H16N2O4/c1-6(7(11)12)10-8(13)9-4-3-5-14-2/h6H,3-5H2,1-2H3,(H,11,12)(H2,9,10,13)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=-7.41495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.226 g/mol  logS: -0.27179  SlogP: -0.2048  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0326507  Sterimol/B1: 2.26002  Sterimol/B2: 2.51613  Sterimol/B3: 3.45039
  Sterimol/B4: 5.10083  Sterimol/L: 16.2747 
 
 Surface and Volume Properties
  Accessible surface: 446.955  Positive charged surface: 344.513  Negative charged surface: 102.442  Volume: 195
  Hydrophobic surface: 261.588  Hydrophilic surface: 185.367
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03482922
PUBCHEM-ZINC05998885