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ACROSORGANICS-ZINC02024500

 MMsINC code: MMs00012428
Type: Neutral
Formula: C8H16N2O4
SMILES:   OC(C(O)C(=O)N(C)C)C(=O)N(C)C
InChI:   InChI=1/C8H16N2O4/c1-9(2)7(13)5(11)6(12)8(14)10(3)4/h5-6,11-12H,1-4H3/t5-,6+

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Potential Energy
Epot(MMFF94)=76.9645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.226 g/mol  logS: 0.68138  SlogP: -2.1154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0710014  Sterimol/B1: 2.58766  Sterimol/B2: 3.04121  Sterimol/B3: 3.44629
  Sterimol/B4: 4.63278  Sterimol/L: 12.4131 
 
 Surface and Volume Properties
  Accessible surface: 392.126  Positive charged surface: 317.324  Negative charged surface: 74.802  Volume: 189.875
  Hydrophobic surface: 279.554  Hydrophilic surface: 112.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.