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CHEMBRIDGE-ZINC00153875

 MMsINC code: MMs00592533
Type: Neutral
Formula: C12H16N2O4
SMILES:   O1CCOC12CCN(CC2)C(=O)c1noc(c1)C
InChI:   InChI=1/C12H16N2O4/c1-9-8-10(13-18-9)11(15)14-4-2-12(3-5-14)16-6-7-17-12/h8H,2-7H2,1H3

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Potential Energy
Epot(MMFF94)=75.6693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.27 g/mol  logS: -1.58014  SlogP: 0.96212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524898  Sterimol/B1: 2.89218  Sterimol/B2: 3.0538  Sterimol/B3: 3.28309
  Sterimol/B4: 5.27639  Sterimol/L: 14.6902 
 
 Surface and Volume Properties
  Accessible surface: 461.604  Positive charged surface: 328.153  Negative charged surface: 133.451  Volume: 228.625
  Hydrophobic surface: 391.47  Hydrophilic surface: 70.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.