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NCID-ZINC04758727

 MMsINC code: MMs02400911
Type: Neutral
Formula: C18H26O2
SMILES:   OC1CC2C(C3C(C4C(=CC(=O)CC4)CC3)CC2)CC1
InChI:   InChI=1/C18H26O2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h9,12,14-18,20H,1-8,10H2/t12-,14+,15+,16-,17+,18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.3789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.404 g/mol  logS: -4.57575  SlogP: 3.4891  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0816528  Sterimol/B1: 2.4537  Sterimol/B2: 2.75746  Sterimol/B3: 3.50278
  Sterimol/B4: 6.80286  Sterimol/L: 14.4218 
 
 Surface and Volume Properties
  Accessible surface: 479.432  Positive charged surface: 360.62  Negative charged surface: 118.811  Volume: 279.75
  Hydrophobic surface: 388.81  Hydrophilic surface: 90.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.