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


NCID-ZINC03875366

 MMsINC code: MMs02381758
Type: Neutral
Formula: C18H24O
SMILES:   Oc1cc2CCC3C4CCCC4(CCC3c2cc1)C
InChI:   InChI=1/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,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)=88.2757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.389 g/mol  logS: -6.81685  SlogP: 4.63837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103794  Sterimol/B1: 1.97453  Sterimol/B2: 3.62626  Sterimol/B3: 4.87333
  Sterimol/B4: 5.20719  Sterimol/L: 14.002 
 
 Surface and Volume Properties
  Accessible surface: 463.719  Positive charged surface: 336.868  Negative charged surface: 126.851  Volume: 270.625
  Hydrophobic surface: 397.565  Hydrophilic surface: 66.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.