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PUBCHEM-ZINC05819146

 MMsINC code: MMs03398280
Type: Neutral
Formula: C15H24O2
SMILES:   O(CC(O)C)c1ccc(cc1)CC(CC)CC
InChI:   InChI=1/C15H24O2/c1-4-13(5-2)10-14-6-8-15(9-7-14)17-11-12(3)16/h6-9,12-13,16H,4-5,10-11H2,1-3H3/t12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.4361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.355 g/mol  logS: -4.60995  SlogP: 3.42487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0545758  Sterimol/B1: 2.49316  Sterimol/B2: 2.51315  Sterimol/B3: 4.27918
  Sterimol/B4: 6.27422  Sterimol/L: 16.4754 
 
 Surface and Volume Properties
  Accessible surface: 517.779  Positive charged surface: 358.712  Negative charged surface: 159.067  Volume: 263.875
  Hydrophobic surface: 398.827  Hydrophilic surface: 118.952
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.