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ACROSORGANICS-ZINC01763117

 MMsINC code: MMs00011908
Type: Neutral
Formula: C11H23NO2
SMILES:   OC(=O)CCCCCCCCCCN
InChI:   InChI=1/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-7.28473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.31 g/mol  logS: -2.34107  SlogP: 2.5406  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0212005  Sterimol/B1: 2.23143  Sterimol/B2: 2.4444  Sterimol/B3: 2.48927
  Sterimol/B4: 3.73633  Sterimol/L: 19.1067 
 
 Surface and Volume Properties
  Accessible surface: 490.242  Positive charged surface: 392.301  Negative charged surface: 97.941  Volume: 225.125
  Hydrophobic surface: 326.281  Hydrophilic surface: 163.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.