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


ENAMINE-ZINC03218410

 MMsINC code: MMs01311815
Type: Neutral
Formula: C26H25N4O2P
SMILES:   P(=O)(Nc1ccccc1)(Nc1ccccc1)C(NC(=O)Nc1ccccc1)c1ccccc1
InChI:   InChI=1/C26H25N4O2P/c31-26(27-22-15-7-2-8-16-22)28-25(21-13-5-1-6-14-21)33(32,29-23-17-9-3-10-18-23)30-24-19-11-4-12-20-24/h1-20,25H,(H2,27,28,31)(H2,29,30,32)/t25-/m0/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)=122.546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.486 g/mol  logS: -5.63084  SlogP: 5.9495  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179374  Sterimol/B1: 2.41964  Sterimol/B2: 4.32593  Sterimol/B3: 5.13113
  Sterimol/B4: 11.3299  Sterimol/L: 17.3553 
 
 Surface and Volume Properties
  Accessible surface: 739.322  Positive charged surface: 415.794  Negative charged surface: 323.528  Volume: 436.75
  Hydrophobic surface: 669.628  Hydrophilic surface: 69.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.