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NCID-ZINC04994361

 MMsINC code: MMs02425602
Type: Neutral
Formula: C10H14N2O4
SMILES:   O1C2C(OC2)CC1N1CC(C)C(=O)NC1=O
InChI:   InChI=1/C10H14N2O4/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(16-8)4-15-6/h5-8H,2-4H2,1H3,(H,11,13,14)/t5-,6+,7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=43.9407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.232 g/mol  logS: -0.78364  SlogP: -0.3119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0980518  Sterimol/B1: 2.35703  Sterimol/B2: 2.9396  Sterimol/B3: 3.32254
  Sterimol/B4: 6.38592  Sterimol/L: 11.7346 
 
 Surface and Volume Properties
  Accessible surface: 402.854  Positive charged surface: 231.144  Negative charged surface: 108.902  Volume: 200.125
  Hydrophobic surface: 208.622  Hydrophilic surface: 194.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.