logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC03137290

 MMsINC code: MMs03000277
Type: Neutral
Formula: C18H20O
SMILES:   OCc1c2CCc3ccc(cc3C)CCc(c1)cc2
InChI:   InChI=1/C18H20O/c1-13-10-14-2-3-15-5-7-17(18(11-15)12-19)9-8-16(13)6-4-14/h4-7,10-11,19H,2-3,8-9,12H2,1H3

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=258.86 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.357 g/mol  logS: -4.96692  SlogP: 3.6374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.29077  Sterimol/B1: 2.11297  Sterimol/B2: 3.40966  Sterimol/B3: 3.93078
  Sterimol/B4: 8.90392  Sterimol/L: 9.78198 
 
 Surface and Volume Properties
  Accessible surface: 420.556  Positive charged surface: 282.267  Negative charged surface: 138.289  Volume: 255.125
  Hydrophobic surface: 370.096  Hydrophilic surface: 50.46
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.