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NANOSIN-ZINC04661800

 MMsINC code: MMs02209178
Type: Neutral
Formula: C14H30O2
SMILES:   O(CCCCCC)CCOCCCCCC
InChI:   InChI=1/C14H30O2/c1-3-5-7-9-11-15-13-14-16-12-10-8-6-4-2/h3-14H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.8509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.392 g/mol  logS: -4.0251  SlogP: 4.1802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223733  Sterimol/B1: 2.37086  Sterimol/B2: 2.62612  Sterimol/B3: 3.19623
  Sterimol/B4: 7.57251  Sterimol/L: 20.2846 
 
 Surface and Volume Properties
  Accessible surface: 596.76  Positive charged surface: 506.462  Negative charged surface: 90.2977  Volume: 279.25
  Hydrophobic surface: 540.858  Hydrophilic surface: 55.902
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.