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PUBCHEM-ZINC05378205

 MMsINC code: MMs03251211
Type: Neutral
Formula: C14H27NO
SMILES:   O=C(NC1CCCCCCCCCCC1)C
InChI:   InChI=1/C14H27NO/c1-13(16)15-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-12H2,1H3,(H,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.5648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.376 g/mol  logS: -4.33293  SlogP: 3.7958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127208  Sterimol/B1: 2.56188  Sterimol/B2: 3.98787  Sterimol/B3: 4.95847
  Sterimol/B4: 5.08377  Sterimol/L: 12.9852 
 
 Surface and Volume Properties
  Accessible surface: 462.607  Positive charged surface: 343.373  Negative charged surface: 119.234  Volume: 259.375
  Hydrophobic surface: 420.492  Hydrophilic surface: 42.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.