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PUBCHEM-ZINC05820735

 MMsINC code: MMs03399711
Type: Neutral
Formula: C11H15NO2
SMILES:   O(CCCCC)c1ccc(N=O)cc1
InChI:   InChI=1/C11H15NO2/c1-2-3-4-9-14-11-7-5-10(12-13)6-8-11/h5-8H,2-4,9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.5251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.246 g/mol  logS: -3.45162  SlogP: 3.6535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0199059  Sterimol/B1: 2.37533  Sterimol/B2: 2.37632  Sterimol/B3: 3.13087
  Sterimol/B4: 4.70849  Sterimol/L: 15.6556 
 
 Surface and Volume Properties
  Accessible surface: 437.936  Positive charged surface: 265.487  Negative charged surface: 172.449  Volume: 199.25
  Hydrophobic surface: 399.301  Hydrophilic surface: 38.635
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.