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PUBCHEM-ZINC05509710

 MMsINC code: MMs03291451
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(N1CCC1)C(CCC)CCC
InChI:   InChI=1/C11H21NO/c1-3-6-10(7-4-2)11(13)12-8-5-9-12/h10H,3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.9795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -2.47951  SlogP: 2.4351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142344  Sterimol/B1: 2.36657  Sterimol/B2: 3.19154  Sterimol/B3: 3.64008
  Sterimol/B4: 8.73417  Sterimol/L: 11.6707 
 
 Surface and Volume Properties
  Accessible surface: 443.424  Positive charged surface: 228.83  Negative charged surface: 86.958  Volume: 211.875
  Hydrophobic surface: 349.221  Hydrophilic surface: 94.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.