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PUBCHEM-ZINC05767423

 MMsINC code: MMs03380191
Type: Neutral
Formula: C15H24O2
SMILES:   O1C2C=C(CCC2(C)C2(CC(O)CC12C)C)C
InChI:   InChI=1/C15H24O2/c1-10-5-6-13(2)12(7-10)17-15(4)9-11(16)8-14(13,15)3/h7,11-12,16H,5-6,8-9H2,1-4H3/t11-,12+,13+,14-,15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.355 g/mol  logS: -2.49747  SlogP: 3.0513  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.258808  Sterimol/B1: 2.93622  Sterimol/B2: 3.90298  Sterimol/B3: 4.44962
  Sterimol/B4: 4.90655  Sterimol/L: 12.2858 
 
 Surface and Volume Properties
  Accessible surface: 431.683  Positive charged surface: 302.455  Negative charged surface: 129.228  Volume: 248.875
  Hydrophobic surface: 312.236  Hydrophilic surface: 119.447
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.