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PUBCHEM-ZINC01850301

 MMsINC code: MMs02825482
Type: Neutral
Formula: C14H30O2
SMILES:   O(C(CC(CC(C)C)C)CC(C)C)CCO
InChI:   InChI=1/C14H30O2/c1-11(2)8-13(5)10-14(9-12(3)4)16-7-6-15/h11-15H,6-10H2,1-5H3/t13-,14+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.5359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.392 g/mol  logS: -4.19514  SlogP: 3.4823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.253024  Sterimol/B1: 3.53287  Sterimol/B2: 5.01543  Sterimol/B3: 5.17613
  Sterimol/B4: 5.77121  Sterimol/L: 12.6032 
 
 Surface and Volume Properties
  Accessible surface: 513.855  Positive charged surface: 390.244  Negative charged surface: 123.611  Volume: 272.5
  Hydrophobic surface: 364.51  Hydrophilic surface: 149.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.