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NCID-ZINC01693234

 MMsINC code: MMs02324792
Type: Neutral
Formula: C12H26O4
SMILES:   O(C(OC)CCCCCCC(OC)OC)C
InChI:   InChI=1/C12H26O4/c1-13-11(14-2)9-7-5-6-8-10-12(15-3)16-4/h11-12H,5-10H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.7394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.336 g/mol  logS: -1.76008  SlogP: 2.5648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0236618  Sterimol/B1: 2.39421  Sterimol/B2: 2.90439  Sterimol/B3: 3.09179
  Sterimol/B4: 5.96424  Sterimol/L: 17.5211 
 
 Surface and Volume Properties
  Accessible surface: 535.219  Positive charged surface: 476.553  Negative charged surface: 58.6659  Volume: 257.625
  Hydrophobic surface: 499.327  Hydrophilic surface: 35.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.