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PUBCHEM-ZINC06070014

 MMsINC code: MMs03522913
Type: Neutral
Formula: C14H20O
SMILES:   Oc1cc(c2c(c1)C(CC2(C)C)(C)C)C
InChI:   InChI=1/C14H20O/c1-9-6-10(15)7-11-12(9)14(4,5)8-13(11,2)3/h6-7,15H,8H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.1182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.313 g/mol  logS: -4.91875  SlogP: 3.65952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.268546  Sterimol/B1: 3.4086  Sterimol/B2: 3.59391  Sterimol/B3: 3.93002
  Sterimol/B4: 6.39788  Sterimol/L: 10.2504 
 
 Surface and Volume Properties
  Accessible surface: 414.762  Positive charged surface: 281.23  Negative charged surface: 133.532  Volume: 225.5
  Hydrophobic surface: 296.655  Hydrophilic surface: 118.107
 
 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.