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


PUBCHEM-ZINC00743456

 MMsINC code: MMs02735795
Type: Neutral
Formula: C25H26N2O2
SMILES:   O=C(NC(Cc1ccccc1)C(=O)Nc1ccc(cc1)CC)c1ccccc1C
InChI:   InChI=1/C25H26N2O2/c1-3-19-13-15-21(16-14-19)26-25(29)23(17-20-10-5-4-6-11-20)27-24(28)22-12-8-7-9-18(22)2/h4-16,23H,3,17H2,1-2H3,(H,26,29)(H,27,28)/t23-/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)=128.379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.495 g/mol  logS: -6.81987  SlogP: 4.53716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425936  Sterimol/B1: 2.50399  Sterimol/B2: 4.44064  Sterimol/B3: 5.04828
  Sterimol/B4: 7.35289  Sterimol/L: 18.3673 
 
 Surface and Volume Properties
  Accessible surface: 670.17  Positive charged surface: 407.917  Negative charged surface: 262.253  Volume: 395.875
  Hydrophobic surface: 598.328  Hydrophilic surface: 71.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.