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PUBCHEM-ZINC06754788

 MMsINC code: MMs03851249
Type: Neutral
Formula: C11H20O
SMILES:   O1C(C)(C)C2(CCC1(CC2)C)C
InChI:   InChI=1/C11H20O/c1-9(2)10(3)5-7-11(4,12-9)8-6-10/h5-8H2,1-4H3/t10-,11+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.2438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.28 g/mol  logS: -2.09767  SlogP: 3.1342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.468901  Sterimol/B1: 2.39688  Sterimol/B2: 2.57461  Sterimol/B3: 4.87057
  Sterimol/B4: 5.16072  Sterimol/L: 9.42462 
 
 Surface and Volume Properties
  Accessible surface: 358.678  Positive charged surface: 255.529  Negative charged surface: 103.149  Volume: 191.25
  Hydrophobic surface: 281.828  Hydrophilic surface: 76.85
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.