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


NCID-ZINC01758865

 MMsINC code: MMs02366183
Type: Neutral
Formula: C25H27NO2
SMILES:   O(C(C(N(C)C)C)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H27NO2/c1-19(26(2)3)24(22-17-11-6-12-18-22)28-25(27)23(20-13-7-4-8-14-20)21-15-9-5-10-16-21/h4-19,23-24H,1-3H3/t19-,24-/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)=143.65 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.496 g/mol  logS: -5.46354  SlogP: 5.1486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.288912  Sterimol/B1: 3.27138  Sterimol/B2: 3.75013  Sterimol/B3: 6.17125
  Sterimol/B4: 7.41858  Sterimol/L: 14.7202 
 
 Surface and Volume Properties
  Accessible surface: 647.909  Positive charged surface: 410.431  Negative charged surface: 237.478  Volume: 390.625
  Hydrophobic surface: 624.01  Hydrophilic surface: 23.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02366184
NCID-ZINC01758865