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PUBCHEM-ZINC05501186

 MMsINC code: MMs03288701
Type: Neutral
Formula: C10H21NO2
SMILES:   O(CCCNC(=O)C(CC)(C)C)C
InChI:   InChI=1/C10H21NO2/c1-5-10(2,3)9(12)11-7-6-8-13-4/h5-8H2,1-4H3,(H,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.7945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -1.23541  SlogP: 1.5753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0603139  Sterimol/B1: 3.30266  Sterimol/B2: 3.45287  Sterimol/B3: 3.62325
  Sterimol/B4: 3.62501  Sterimol/L: 15.5792 
 
 Surface and Volume Properties
  Accessible surface: 443.387  Positive charged surface: 348.349  Negative charged surface: 95.0381  Volume: 212.125
  Hydrophobic surface: 350.528  Hydrophilic surface: 92.859
 
 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.