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PUBCHEM-ZINC05856439

 MMsINC code: MMs03419906
Type: Neutral
Formula: C8H14N2O5
SMILES:   O1C(CO)C(O)C(=O)C(NC(=O)C)C1N
InChI:   InChI=1/C8H14N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-6,8,11,13H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=41.3843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.209 g/mol  logS: 0.43969  SlogP: -2.903  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746205  Sterimol/B1: 2.67471  Sterimol/B2: 3.43165  Sterimol/B3: 4.33829
  Sterimol/B4: 4.91518  Sterimol/L: 13.2453 
 
 Surface and Volume Properties
  Accessible surface: 416.883  Positive charged surface: 291.256  Negative charged surface: 125.627  Volume: 189.5
  Hydrophobic surface: 178.474  Hydrophilic surface: 238.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.