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


PUBCHEM-ZINC06027226

 MMsINC code: MMs03502160
Type: Neutral
Formula: C24H27N3O2
SMILES:   O(Cc1ccccc1)c1ccc(cc1OC)C(N1CCNCC1)c1ncccc1
InChI:   InChI=1/C24H27N3O2/c1-28-23-17-20(10-11-22(23)29-18-19-7-3-2-4-8-19)24(21-9-5-6-12-26-21)27-15-13-25-14-16-27/h2-12,17,24-25H,13-16,18H2,1H3/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)=150.002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.499 g/mol  logS: -3.70345  SlogP: 4.0257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139281  Sterimol/B1: 2.20701  Sterimol/B2: 4.25348  Sterimol/B3: 7.6958
  Sterimol/B4: 8.37073  Sterimol/L: 18.1467 
 
 Surface and Volume Properties
  Accessible surface: 704.094  Positive charged surface: 519.744  Negative charged surface: 184.35  Volume: 394.25
  Hydrophobic surface: 654.645  Hydrophilic surface: 49.449
 
 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


MMs03502161
PUBCHEM-ZINC06027226