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PUBCHEM-ZINC06323912

 MMsINC code: MMs03674955
Type: Neutral
Formula: C13H18N2O5
SMILES:   O=C1N(CC(OCC(=O)NC)=O)C(=O)C2C1CCCC2
InChI:   InChI=1/C13H18N2O5/c1-14-10(16)7-20-11(17)6-15-12(18)8-4-2-3-5-9(8)13(15)19/h8-9H,2-7H2,1H3,(H,14,16)/t8-,9+

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Potential Energy
Epot(MMFF94)=15.889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.296 g/mol  logS: -1.86979  SlogP: -0.5492  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0747182  Sterimol/B1: 3.66421  Sterimol/B2: 3.79107  Sterimol/B3: 4.16963
  Sterimol/B4: 4.61339  Sterimol/L: 15.8167 
 
 Surface and Volume Properties
  Accessible surface: 507.205  Positive charged surface: 375.889  Negative charged surface: 131.316  Volume: 254.5
  Hydrophobic surface: 346.474  Hydrophilic surface: 160.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.