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PUBCHEM-ZINC06070301

 MMsINC code: MMs03523180
Type: Neutral
Formula: C15H22O
SMILES:   Oc1c(c2c(cc1C)C(CC2(C)C)(C)C)C
InChI:   InChI=1/C15H22O/c1-9-7-11-12(10(2)13(9)16)15(5,6)8-14(11,3)4/h7,16H,8H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.2647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.34 g/mol  logS: -4.76577  SlogP: 3.96794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213893  Sterimol/B1: 3.29264  Sterimol/B2: 3.53927  Sterimol/B3: 3.55513
  Sterimol/B4: 6.26842  Sterimol/L: 10.6979 
 
 Surface and Volume Properties
  Accessible surface: 436.312  Positive charged surface: 295.9  Negative charged surface: 140.412  Volume: 244.5
  Hydrophobic surface: 335.248  Hydrophilic surface: 101.064
 
 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.