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


CHEMBRIDGE-ZINC04980477

 MMsINC code: MMs00817868
Type: Neutral
Formula: C24H28N2O2
SMILES:   O(CC)c1ccccc1N1CCN(CC1)Cc1c2c(ccc1OC)cccc2
InChI:   InChI=1/C24H28N2O2/c1-3-28-24-11-7-6-10-22(24)26-16-14-25(15-17-26)18-21-20-9-5-4-8-19(20)12-13-23(21)27-2/h4-13H,3,14-18H2,1-2H3

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)=190.024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.5 g/mol  logS: -5.43277  SlogP: 4.8357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116931  Sterimol/B1: 2.6687  Sterimol/B2: 3.46315  Sterimol/B3: 5.46543
  Sterimol/B4: 8.26629  Sterimol/L: 15.5294 
 
 Surface and Volume Properties
  Accessible surface: 672.228  Positive charged surface: 491.829  Negative charged surface: 174.541  Volume: 387.5
  Hydrophobic surface: 628.794  Hydrophilic surface: 43.434
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00817869
CHEMBRIDGE-ZINC04980477