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


PUBCHEM-ZINC03607690

 MMsINC code: MMs03020631
Type: Neutral
Formula: C23H31NO2
SMILES:   O(CC)c1ccc(cc1)C(O)C(N1CCC(CC1)Cc1ccccc1)C
InChI:   InChI=1/C23H31NO2/c1-3-26-22-11-9-21(10-12-22)23(25)18(2)24-15-13-20(14-16-24)17-19-7-5-4-6-8-19/h4-12,18,20,23,25H,3,13-17H2,1-2H3/t18-,23+/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)=96.6779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.506 g/mol  logS: -4.53012  SlogP: 4.55737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464901  Sterimol/B1: 3.51187  Sterimol/B2: 4.08605  Sterimol/B3: 4.18984
  Sterimol/B4: 4.80228  Sterimol/L: 20.9361 
 
 Surface and Volume Properties
  Accessible surface: 657.437  Positive charged surface: 445.181  Negative charged surface: 212.257  Volume: 378.25
  Hydrophobic surface: 572.31  Hydrophilic surface: 85.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03020632
PUBCHEM-ZINC03607690