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PUBCHEM-ZINC03581047

 MMsINC code: MMs03016941
Type: Neutral
Formula: C5H10N2O5
SMILES:   OC(O)CC(NC(=O)N)C(O)=O
InChI:   InChI=1/C5H10N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2-3,8-9H,1H2,(H,10,11)(H3,6,7,12)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-26.2336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.144 g/mol  logS: 0.61642  SlogP: -2.1913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170537  Sterimol/B1: 2.56997  Sterimol/B2: 3.71266  Sterimol/B3: 3.87975
  Sterimol/B4: 4.93665  Sterimol/L: 9.92912 
 
 Surface and Volume Properties
  Accessible surface: 353.157  Positive charged surface: 227.945  Negative charged surface: 125.212  Volume: 146
  Hydrophobic surface: 49.6873  Hydrophilic surface: 303.4697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  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


MMs03016942
PUBCHEM-ZINC03581047