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PUBCHEM-ZINC03623711

 MMsINC code: MMs03025129
Type: Neutral
Formula: C13H25NO2
SMILES:   O1CCN(CC1)C(=O)C(CC(C)(C)C)(C)C
InChI:   InChI=1/C13H25NO2/c1-12(2,3)10-13(4,5)11(15)14-6-8-16-9-7-14/h6-10H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=204.991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.348 g/mol  logS: -2.62215  SlogP: 2.3076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.306445  Sterimol/B1: 2.49397  Sterimol/B2: 3.61268  Sterimol/B3: 4.20567
  Sterimol/B4: 6.2824  Sterimol/L: 10.9852 
 
 Surface and Volume Properties
  Accessible surface: 418.383  Positive charged surface: 316.881  Negative charged surface: 101.502  Volume: 238.875
  Hydrophobic surface: 317.521  Hydrophilic surface: 100.862
 
 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.