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NCID-ZINC05159779

 MMsINC code: MMs02445055
Type: Neutral
Formula: C20H36O4
SMILES:   O1CCCCCCCCCC(OCCCCCCCCCC1=O)=O
InChI:   InChI=1/C20H36O4/c21-19-15-11-7-3-1-5-9-13-17-23-20(22)16-12-8-4-2-6-10-14-18-24-19/h1-18H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.7478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.504 g/mol  logS: -5.65194  SlogP: 5.328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659079  Sterimol/B1: 2.80059  Sterimol/B2: 3.47508  Sterimol/B3: 6.25313
  Sterimol/B4: 6.70877  Sterimol/L: 14.6457 
 
 Surface and Volume Properties
  Accessible surface: 665.205  Positive charged surface: 530.077  Negative charged surface: 135.128  Volume: 369.375
  Hydrophobic surface: 585.06  Hydrophilic surface: 80.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.