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


PUBCHEM-ZINC05781644

 MMsINC code: MMs03383600
Type: Neutral
Formula: C23H29NO
SMILES:   O(C(c1ccc(cc1)C)c1ccccc1)C1CC2N(C(C1)CCC2)C
InChI:   InChI=1/C23H29NO/c1-17-11-13-19(14-12-17)23(18-7-4-3-5-8-18)25-22-15-20-9-6-10-21(16-22)24(20)2/h3-5,7-8,11-14,20-23H,6,9-10,15-16H2,1-2H3/t20-,21+,22+,23-/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)=81.2371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.491 g/mol  logS: -4.94732  SlogP: 5.21182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199779  Sterimol/B1: 2.49758  Sterimol/B2: 4.05507  Sterimol/B3: 4.09645
  Sterimol/B4: 10.1463  Sterimol/L: 14.5729 
 
 Surface and Volume Properties
  Accessible surface: 609.448  Positive charged surface: 430.719  Negative charged surface: 178.729  Volume: 360.875
  Hydrophobic surface: 607.15  Hydrophilic surface: 2.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03383601
PUBCHEM-ZINC05781644