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


NCID-ZINC01760381

 MMsINC code: MMs02366917
Type: Neutral
Formula: C24H30N2O3
SMILES:   o1nc(c(-c2ccccc2OCCN(CC)CC)c1CC)-c1ccc(OC)cc1
InChI:   InChI=1/C24H30N2O3/c1-5-21-23(24(25-29-21)18-12-14-19(27-4)15-13-18)20-10-8-9-11-22(20)28-17-16-26(6-2)7-3/h8-15H,5-7,16-17H2,1-4H3

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)=119.689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.515 g/mol  logS: -6.02102  SlogP: 5.30017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.283421  Sterimol/B1: 3.65242  Sterimol/B2: 3.76667  Sterimol/B3: 6.96312
  Sterimol/B4: 7.15674  Sterimol/L: 15.8509 
 
 Surface and Volume Properties
  Accessible surface: 657.485  Positive charged surface: 462.156  Negative charged surface: 195.329  Volume: 407.75
  Hydrophobic surface: 579.017  Hydrophilic surface: 78.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02366918
NCID-ZINC01760381