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PUBCHEM-ZINC03109860

 MMsINC code: MMs02995373
Type: Neutral
Formula: C11H19NO
SMILES:   O=C(N1CCCCC1)C1CCCC1
InChI:   InChI=1/C11H19NO/c13-11(10-6-2-3-7-10)12-8-4-1-5-9-12/h10H,1-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.2626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.279 g/mol  logS: -1.75057  SlogP: 2.1891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107676  Sterimol/B1: 3.30469  Sterimol/B2: 3.31178  Sterimol/B3: 3.36695
  Sterimol/B4: 4.44885  Sterimol/L: 12.1357 
 
 Surface and Volume Properties
  Accessible surface: 396.049  Positive charged surface: 313.154  Negative charged surface: 82.8957  Volume: 196.875
  Hydrophobic surface: 368.984  Hydrophilic surface: 27.065
 
 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.