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PUBCHEM-ZINC05972822

 MMsINC code: MMs03468348
Type: Neutral
Formula: C14H18N2O5
SMILES:   O1C(C=CC1N1C=C(C)C(=O)NC1=O)COC(=O)CCC
InChI:   InChI=1/C14H18N2O5/c1-3-4-12(17)20-8-10-5-6-11(21-10)16-7-9(2)13(18)15-14(16)19/h5-7,10-11H,3-4,8H2,1-2H3,(H,15,18,19)/t10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=8.73538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.307 g/mol  logS: -2.13456  SlogP: 1.0664  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0645705  Sterimol/B1: 2.5282  Sterimol/B2: 2.79563  Sterimol/B3: 4.29581
  Sterimol/B4: 6.9199  Sterimol/L: 17.2928 
 
 Surface and Volume Properties
  Accessible surface: 545.428  Positive charged surface: 362.856  Negative charged surface: 182.571  Volume: 272.75
  Hydrophobic surface: 347.096  Hydrophilic surface: 198.332
 
 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.