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PUBCHEM-ZINC05374974

 MMsINC code: MMs03250288
Type: Neutral
Formula: C14H26ClNO
SMILES:   ClCC(=O)NC1CCCCCCCCCCC1
InChI:   InChI=1/C14H26ClNO/c15-12-14(17)16-13-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-12H2,(H,16,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.821 g/mol  logS: -5.09085  SlogP: 4.0147  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.503613  Sterimol/B1: 3.92702  Sterimol/B2: 5.04526  Sterimol/B3: 5.04566
  Sterimol/B4: 5.18694  Sterimol/L: 11.5713 
 
 Surface and Volume Properties
  Accessible surface: 470.401  Positive charged surface: 304.185  Negative charged surface: 166.216  Volume: 266
  Hydrophobic surface: 372.483  Hydrophilic surface: 97.918
 
 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.