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


NCID-ZINC01539577

 MMsINC code: MMs02218942
Type: Neutral
Formula: C27H26P2
SMILES:   P(CCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2

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)=100.16 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.453 g/mol  logS: -6.41015  SlogP: 5.6423  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0761845  Sterimol/B1: 2.4426  Sterimol/B2: 2.81058  Sterimol/B3: 4.78141
  Sterimol/B4: 8.91584  Sterimol/L: 17.857 
 
 Surface and Volume Properties
  Accessible surface: 685.201  Positive charged surface: 381.916  Negative charged surface: 303.285  Volume: 431.125
  Hydrophobic surface: 685.201  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.