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PUBCHEM-ZINC05821246

 MMsINC code: MMs03400273
Type: Ionized
Formula: C10H13N2O5-
SMILES:   O=C1N(CCCC)C(=O)N(CC(=O)[O-])C(=O)C1
InChI:   InChI=1/C10H14N2O5/c1-2-3-4-11-7(13)5-8(14)12(10(11)17)6-9(15)16/h2-6H2,1H3,(H,15,16)/p-1

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Potential Energy
Epot(MMFF94)=-18.83 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.223 g/mol  logS: -1.49822  SlogP: -1.2827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0896414  Sterimol/B1: 2.4266  Sterimol/B2: 3.73582  Sterimol/B3: 4.09925
  Sterimol/B4: 5.22331  Sterimol/L: 13.7124 
 
 Surface and Volume Properties
  Accessible surface: 442.509  Positive charged surface: 263.884  Negative charged surface: 178.624  Volume: 210.75
  Hydrophobic surface: 233.703  Hydrophilic surface: 208.806
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs03400272
PUBCHEM-ZINC05821246