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BACHEM-ZINC02560845

 MMsINC code: MMs00483959
Type: Neutral
Formula: C8H16N2O2
SMILES:   O=C(NC)C(NC(=O)C)C(C)C
InChI:   InChI=1/C8H16N2O2/c1-5(2)7(8(12)9-4)10-6(3)11/h5,7H,1-4H3,(H,9,12)(H,10,11)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=26.5559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.228 g/mol  logS: -0.67379  SlogP: -0.1069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178923  Sterimol/B1: 2.56246  Sterimol/B2: 2.60749  Sterimol/B3: 4.07267
  Sterimol/B4: 6.12281  Sterimol/L: 11.8498 
 
 Surface and Volume Properties
  Accessible surface: 381.109  Positive charged surface: 279.472  Negative charged surface: 101.636  Volume: 177
  Hydrophobic surface: 265.32  Hydrophilic surface: 115.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.