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


NCID-ZINC02039149

 MMsINC code: MMs02378985
Type: Neutral
Formula: C18H23FO2
SMILES:   Fc1c2CCC3C4CCC(O)C4(CCC3c2ccc1O)C
InChI:   InChI=1/C18H23FO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,16,20-21H,2-3,5,7-9H2,1H3/t11-,12+,14+,16+,18-/m1/s1

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)=98.6473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.378 g/mol  logS: -4.19992  SlogP: 3.74827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132179  Sterimol/B1: 2.78364  Sterimol/B2: 2.96433  Sterimol/B3: 4.82943
  Sterimol/B4: 5.49973  Sterimol/L: 13.6333 
 
 Surface and Volume Properties
  Accessible surface: 479.547  Positive charged surface: 336.283  Negative charged surface: 143.264  Volume: 279.375
  Hydrophobic surface: 379.714  Hydrophilic surface: 99.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.