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ASINEX-ZINC04512298

 MMsINC code: MMs00346749
Type: Neutral
Formula: C8H12N2O4
SMILES:   O=C1N(CC(OC)=O)C(=O)NC1(C)C
InChI:   InChI=1/C8H12N2O4/c1-8(2)6(12)10(7(13)9-8)4-5(11)14-3/h4H2,1-3H3,(H,9,13)

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Potential Energy
Epot(MMFF94)=8.21599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.194 g/mol  logS: -1.09708  SlogP: -0.5102  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.12418  Sterimol/B1: 3.01156  Sterimol/B2: 3.23301  Sterimol/B3: 4.10351
  Sterimol/B4: 4.38596  Sterimol/L: 12.7415 
 
 Surface and Volume Properties
  Accessible surface: 395.707  Positive charged surface: 272.471  Negative charged surface: 123.236  Volume: 179.25
  Hydrophobic surface: 216.803  Hydrophilic surface: 178.904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.