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


PUBCHEM-ZINC06027227

 MMsINC code: MMs03502162
Type: Neutral
Formula: C24H27N3O2
SMILES:   O(Cc1ccccc1)c1ccc(cc1OC)C(N1CCNCC1)c1cccnc1
InChI:   InChI=1/C24H27N3O2/c1-28-23-16-20(9-10-22(23)29-18-19-6-3-2-4-7-19)24(21-8-5-11-26-17-21)27-14-12-25-13-15-27/h2-11,16-17,24-25H,12-15,18H2,1H3/t24-/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)=137.903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.499 g/mol  logS: -3.55053  SlogP: 4.0257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133531  Sterimol/B1: 2.19278  Sterimol/B2: 3.92681  Sterimol/B3: 7.80948
  Sterimol/B4: 7.90424  Sterimol/L: 18.1544 
 
 Surface and Volume Properties
  Accessible surface: 697.602  Positive charged surface: 518.86  Negative charged surface: 178.741  Volume: 395
  Hydrophobic surface: 633.255  Hydrophilic surface: 64.347
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs03502163
PUBCHEM-ZINC06027227