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PUBCHEM-ZINC05283898

 MMsINC code: MMs03232066
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(NC1CCCC1)C(C)(C)C
InChI:   InChI=1/C10H19NO/c1-10(2,3)9(12)11-8-6-4-5-7-8/h8H,4-7H2,1-3H3,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.0881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.3317  SlogP: 2.0913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137333  Sterimol/B1: 2.54586  Sterimol/B2: 2.75022  Sterimol/B3: 4.21093
  Sterimol/B4: 4.39549  Sterimol/L: 11.8411 
 
 Surface and Volume Properties
  Accessible surface: 398.054  Positive charged surface: 289.518  Negative charged surface: 108.536  Volume: 191.5
  Hydrophobic surface: 319.11  Hydrophilic surface: 78.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.