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


PUBCHEM-ZINC01996884

 MMsINC code: MMs02839730
Type: Neutral
Formula: C23H29NO
SMILES:   OC1(c2c(CCc3c1cccc3)cccc2)CCC1N(CCCC1)C
InChI:   InChI=1/C23H29NO/c1-24-17-7-6-10-20(24)15-16-23(25)21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-5,8-9,11-12,20,25H,6-7,10,13-17H2,1H3/t20-/m0/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)=124.715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.491 g/mol  logS: -4.82518  SlogP: 4.59704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251722  Sterimol/B1: 2.41596  Sterimol/B2: 4.26227  Sterimol/B3: 6.04564
  Sterimol/B4: 8.39912  Sterimol/L: 13.2885 
 
 Surface and Volume Properties
  Accessible surface: 572.249  Positive charged surface: 411.702  Negative charged surface: 160.547  Volume: 352.25
  Hydrophobic surface: 537.405  Hydrophilic surface: 34.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02839731
PUBCHEM-ZINC01996884