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ALFAAESAR-ZINC01606034

MMsINC code: MMs00021487

Type: Neutral
Formula: C11H24O
SMILES:   OC(CCCCCC)CCCC
InChI:   InChI=1/C11H24O/c1-3-5-7-8-10-11(12)9-6-4-2/h11-12H,3-10H2,1-2H3/t11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=2.96282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.312 g/mol  logS: -3.53728  SlogP: 3.5079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0368212  Sterimol/B1: 2.59997  Sterimol/B2: 2.84535  Sterimol/B3: 3.19743
  Sterimol/B4: 3.44545  Sterimol/L: 17.2266 
 
 Surface and Volume Properties
  Accessible surface: 465.948  Positive charged surface: 370.187  Negative charged surface: 95.761  Volume: 214.375
  Hydrophobic surface: 382.487  Hydrophilic surface: 83.461
 
 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.