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PUBCHEM-ZINC02389629

 MMsINC code: MMs02886929
Type: Neutral
Formula: C10H23NO
SMILES:   OCCCCCCCCCCN
InChI:   InChI=1/C10H23NO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.27773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.3 g/mol  logS: -1.94732  SlogP: 2.0582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0254736  Sterimol/B1: 2.23064  Sterimol/B2: 2.46993  Sterimol/B3: 2.53372
  Sterimol/B4: 3.10141  Sterimol/L: 17.8945 
 
 Surface and Volume Properties
  Accessible surface: 462.012  Positive charged surface: 394.701  Negative charged surface: 67.3111  Volume: 211.5
  Hydrophobic surface: 340.752  Hydrophilic surface: 121.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02886930
PUBCHEM-ZINC02389629