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


NCID-ZINC01705926

 MMsINC code: MMs02334376
Type: Neutral
Formula: C20H19OP
SMILES:   P(=O)(Cc1ccccc1)(Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C20H19OP/c21-22(20-14-8-3-9-15-20,16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2

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)=76.4711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.345 g/mol  logS: -4.46192  SlogP: 4.538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145534  Sterimol/B1: 2.4994  Sterimol/B2: 3.89581  Sterimol/B3: 4.95256
  Sterimol/B4: 6.81824  Sterimol/L: 14.657 
 
 Surface and Volume Properties
  Accessible surface: 542.753  Positive charged surface: 309.503  Negative charged surface: 233.25  Volume: 313.625
  Hydrophobic surface: 527.922  Hydrophilic surface: 14.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.