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NCID-ZINC01529403

MMsINC code: MMs02218748

Type: Neutral
Formula: C12H26O
SMILES:   OCCCCCCCCCCCC
InChI:   InChI=1/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=-0.238211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.339 g/mol  logS: -4.55396  SlogP: 3.8996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0218211  Sterimol/B1: 2.32843  Sterimol/B2: 2.37541  Sterimol/B3: 2.37546
  Sterimol/B4: 2.99529  Sterimol/L: 19.4174 
 
 Surface and Volume Properties
  Accessible surface: 501.068  Positive charged surface: 420.47  Negative charged surface: 80.5975  Volume: 233.125
  Hydrophobic surface: 423.804  Hydrophilic surface: 77.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.