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


NCID-ZINC01729397

 MMsINC code: MMs02352481
Type: Neutral
Formula: C25H22P2
SMILES:   P(CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H22P2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2

Download   format file 
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)=101.196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.399 g/mol  logS: -5.91388  SlogP: 5.2097  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.189799  Sterimol/B1: 2.48805  Sterimol/B2: 3.12964  Sterimol/B3: 5.90716
  Sterimol/B4: 10.0513  Sterimol/L: 14.2656 
 
 Surface and Volume Properties
  Accessible surface: 659.675  Positive charged surface: 353.362  Negative charged surface: 306.312  Volume: 394.875
  Hydrophobic surface: 659.675  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: no related molecules available.