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PUBCHEM-ZINC05821246

 MMsINC code: MMs03400272
Type: Neutral
Formula: C10H14N2O5
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)

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Potential Energy
Epot(MMFF94)=-22.7339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.231 g/mol  logS: -1.23777  SlogP: 0.052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.086574  Sterimol/B1: 2.41865  Sterimol/B2: 3.27133  Sterimol/B3: 3.94991
  Sterimol/B4: 5.35653  Sterimol/L: 13.7311 
 
 Surface and Volume Properties
  Accessible surface: 443.089  Positive charged surface: 285.006  Negative charged surface: 158.083  Volume: 212
  Hydrophobic surface: 226.069  Hydrophilic surface: 217.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs03400273
PUBCHEM-ZINC05821246