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BACHEM-ZINC04899554

 MMsINC code: MMs00485024
Type: Neutral
Formula: C7H15NO2
SMILES:   O(C(C)(C)C)C(=O)CNC
InChI:   InChI=1/C7H15NO2/c1-7(2,3)10-6(9)5-8-4/h8H,5H2,1-4H3

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Potential Energy
Epot(MMFF94)=44.96 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.202 g/mol  logS: -0.74728  SlogP: 0.5475  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.123153  Sterimol/B1: 2.17649  Sterimol/B2: 2.54798  Sterimol/B3: 4.34408
  Sterimol/B4: 4.68198  Sterimol/L: 11.8883 
 
 Surface and Volume Properties
  Accessible surface: 365.826  Positive charged surface: 284.362  Negative charged surface: 81.4641  Volume: 158.25
  Hydrophobic surface: 260.714  Hydrophilic surface: 105.112
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.