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AURORAFEINCHEMIE-ZINC03956692

 MMsINC code: MMs00458437
Type: Neutral
Formula: C7H10N2O4
SMILES:   O=C1NC(=O)NC=C1C(OC)OC
InChI:   InChI=1/C7H10N2O4/c1-12-6(13-2)4-3-8-7(11)9-5(4)10/h3,6H,1-2H3,(H2,8,9,10,11)

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Potential Energy
Epot(MMFF94)=-2.01646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.167 g/mol  logS: -0.58865  SlogP: -0.6714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169685  Sterimol/B1: 2.47185  Sterimol/B2: 3.66016  Sterimol/B3: 3.94376
  Sterimol/B4: 5.50995  Sterimol/L: 11.216 
 
 Surface and Volume Properties
  Accessible surface: 363.293  Positive charged surface: 257.077  Negative charged surface: 106.216  Volume: 161.125
  Hydrophobic surface: 197.82  Hydrophilic surface: 165.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.