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


NCID-ZINC05554550

 MMsINC code: MMs02475210
Type: Neutral
Formula: C23H24N2O2
SMILES:   O(C)c1c-2c3C4N(CCCC4c4c-2[nH]c2c4cccc2)CCc3cc1OC
InChI:   InChI=1/C23H24N2O2/c1-26-17-12-13-9-11-25-10-5-7-15-19-14-6-3-4-8-16(14)24-21(19)20(23(17)27-2)18(13)22(15)25/h3-4,6,8,12,15,22,24H,5,7,9-11H2,1-2H3/t15-,22+/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)=128.62 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.457 g/mol  logS: -4.83685  SlogP: 4.73777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0444634  Sterimol/B1: 2.41654  Sterimol/B2: 3.45168  Sterimol/B3: 4.63439
  Sterimol/B4: 8.00602  Sterimol/L: 15.342 
 
 Surface and Volume Properties
  Accessible surface: 582.554  Positive charged surface: 433.417  Negative charged surface: 144.184  Volume: 347.5
  Hydrophobic surface: 556.89  Hydrophilic surface: 25.664
 
 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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02475211
NCID-ZINC05554550