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NCID-ZINC01700433

 MMsINC code: MMs02330193
Type: Neutral
Formula: C14H24O4
SMILES:   O(C(=O)C)C1CCCCCCCCC1OC(=O)C
InChI:   InChI=1/C14H24O4/c1-11(15)17-13-9-7-5-3-4-6-8-10-14(13)18-12(2)16/h13-14H,3-10H2,1-2H3/t13-,14+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -3.4384  SlogP: 2.9842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.300478  Sterimol/B1: 2.38769  Sterimol/B2: 2.54612  Sterimol/B3: 5.6821
  Sterimol/B4: 8.00134  Sterimol/L: 12.4857 
 
 Surface and Volume Properties
  Accessible surface: 481.692  Positive charged surface: 321.278  Negative charged surface: 160.413  Volume: 263.625
  Hydrophobic surface: 412.216  Hydrophilic surface: 69.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.