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PUBCHEM-ZINC05496059

 MMsINC code: MMs03286457
Type: Neutral
Formula: C10H19NO2
SMILES:   O1CCN(CC1)C(=O)CC(C)(C)C
InChI:   InChI=1/C10H19NO2/c1-10(2,3)8-9(12)11-4-6-13-7-5-11/h4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.6395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.70339  SlogP: 1.2814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141852  Sterimol/B1: 2.438  Sterimol/B2: 2.7491  Sterimol/B3: 4.75262
  Sterimol/B4: 4.85591  Sterimol/L: 11.6835 
 
 Surface and Volume Properties
  Accessible surface: 399.526  Positive charged surface: 320.261  Negative charged surface: 79.2644  Volume: 197.375
  Hydrophobic surface: 317.876  Hydrophilic surface: 81.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.