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NCID-ZINC01665155

 MMsINC code: MMs02301318
Type: Neutral
Formula: C8H15NO3
SMILES:   OC(=O)C(NC(=O)C)(CC)CC
InChI:   InChI=1/C8H15NO3/c1-4-8(5-2,7(11)12)9-6(3)10/h4-5H2,1-3H3,(H,9,10)(H,11,12)

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Potential Energy
Epot(MMFF94)=32.3214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.212 g/mol  logS: -0.82427  SlogP: 0.7659  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.408417  Sterimol/B1: 2.2972  Sterimol/B2: 3.01021  Sterimol/B3: 4.26746
  Sterimol/B4: 7.31052  Sterimol/L: 9.73614 
 
 Surface and Volume Properties
  Accessible surface: 360.35  Positive charged surface: 232.11  Negative charged surface: 128.24  Volume: 173.125
  Hydrophobic surface: 219.693  Hydrophilic surface: 140.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02301319
NCID-ZINC01665155