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PUBCHEM-ZINC04203907

 MMsINC code: MMs03099856
Type: Neutral
Formula: C8H16N2O2
SMILES:   O(C(C)(C)C)C(=O)NC1CNC1
InChI:   InChI=1/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-9-5-6/h6,9H,4-5H2,1-3H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=31.4621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.228 g/mol  logS: -0.73734  SlogP: 0.4829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126758  Sterimol/B1: 2.20981  Sterimol/B2: 2.54636  Sterimol/B3: 4.38665
  Sterimol/B4: 4.68108  Sterimol/L: 11.9571 
 
 Surface and Volume Properties
  Accessible surface: 394.425  Positive charged surface: 213.239  Negative charged surface: 88.3311  Volume: 177.125
  Hydrophobic surface: 227.299  Hydrophilic surface: 167.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.