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AURORAFEINCHEMIE-ZINC01695501

 MMsINC code: MMs00448805
Type: Neutral
Formula: C14H22O
SMILES:   OC(Cc1ccccc1)CCCCCC
InChI:   InChI=1/C14H22O/c1-2-3-4-8-11-14(15)12-13-9-6-5-7-10-13/h5-7,9-10,14-15H,2-4,8,11-12H2,1H3/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.8618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.329 g/mol  logS: -3.80723  SlogP: 3.56037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501662  Sterimol/B1: 2.23065  Sterimol/B2: 3.7048  Sterimol/B3: 3.7895
  Sterimol/B4: 4.10555  Sterimol/L: 17.1901 
 
 Surface and Volume Properties
  Accessible surface: 490.449  Positive charged surface: 343.092  Negative charged surface: 147.357  Volume: 239.25
  Hydrophobic surface: 435.44  Hydrophilic surface: 55.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.