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PUBCHEM-ZINC01529726

 MMsINC code: MMs02813021
Type: Neutral
Formula: C8H13NO4
SMILES:   OC(=O)CC(=O)CCCNC(=O)C
InChI:   InChI=1/C8H13NO4/c1-6(10)9-4-2-3-7(11)5-8(12)13/h2-5H2,1H3,(H,9,10)(H,12,13)

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Potential Energy
Epot(MMFF94)=6.18759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.195 g/mol  logS: -0.06327  SlogP: -0.0535  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0232464  Sterimol/B1: 2.37584  Sterimol/B2: 2.51206  Sterimol/B3: 2.88497
  Sterimol/B4: 3.84629  Sterimol/L: 15.3589 
 
 Surface and Volume Properties
  Accessible surface: 410.603  Positive charged surface: 277.807  Negative charged surface: 132.795  Volume: 174.625
  Hydrophobic surface: 228.154  Hydrophilic surface: 182.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02813022
PUBCHEM-ZINC01529726