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PUBCHEM-ZINC01531039

 MMsINC code: MMs02813413
Type: Neutral
Formula: C6H10N2O5
SMILES:   OC(=O)C(N)CCNC(=O)C(O)=O
InChI:   InChI=1/C6H10N2O5/c7-3(5(10)11)1-2-8-4(9)6(12)13/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=40.4846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.155 g/mol  logS: 0.35208  SlogP: -2.0108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575313  Sterimol/B1: 2.67433  Sterimol/B2: 2.96154  Sterimol/B3: 3.04094
  Sterimol/B4: 4.02875  Sterimol/L: 13.0988 
 
 Surface and Volume Properties
  Accessible surface: 376.843  Positive charged surface: 229.216  Negative charged surface: 147.626  Volume: 158
  Hydrophobic surface: 72.5003  Hydrophilic surface: 304.3427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs02813414
PUBCHEM-ZINC01531039