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ENAMINE-ZINC03257740

 MMsINC code: MMs01334644
Type: Neutral
Formula: C12H16N2O5
SMILES:   O=C1N(CC(OCC(=O)N)=O)C(=O)C2C1CCCC2
InChI:   InChI=1/C12H16N2O5/c13-9(15)6-19-10(16)5-14-11(17)7-3-1-2-4-8(7)12(14)18/h7-8H,1-6H2,(H2,13,15)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=23.1289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.269 g/mol  logS: -1.97578  SlogP: -0.8099  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0743178  Sterimol/B1: 3.07067  Sterimol/B2: 3.2384  Sterimol/B3: 4.07386
  Sterimol/B4: 5.08222  Sterimol/L: 15.8875 
 
 Surface and Volume Properties
  Accessible surface: 485.887  Positive charged surface: 332.42  Negative charged surface: 153.467  Volume: 239
  Hydrophobic surface: 258.618  Hydrophilic surface: 227.269
 
 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.