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PUBCHEM-ZINC05963148

 MMsINC code: MMs03463484
Type: Neutral
Formula: C10H21NO2
SMILES:   O(C(C)(C)C)C(=O)C(NC)C(C)C
InChI:   InChI=1/C10H21NO2/c1-7(2)8(11-6)9(12)13-10(3,4)5/h7-8,11H,1-6H3/t8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.4166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -1.47803  SlogP: 1.5721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149956  Sterimol/B1: 2.42034  Sterimol/B2: 3.32075  Sterimol/B3: 3.72638
  Sterimol/B4: 7.11501  Sterimol/L: 11.3026 
 
 Surface and Volume Properties
  Accessible surface: 419.718  Positive charged surface: 317.319  Negative charged surface: 102.399  Volume: 209.125
  Hydrophobic surface: 302.613  Hydrophilic surface: 117.105
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.