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


AURORAFEINCHEMIE-ZINC04293171

 MMsINC code: MMs00469313
Type: Neutral
Formula: C14H16OP+
SMILES:   [P+](O)(Cc1ccccc1)(C)c1ccccc1
InChI:   InChI=1/C14H16OP/c1-16(15,14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3/q+1/t16-/m1/s1

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)=61.393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.255 g/mol  logS: -2.6225  SlogP: 3.3332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108447  Sterimol/B1: 2.10943  Sterimol/B2: 3.18217  Sterimol/B3: 3.74309
  Sterimol/B4: 5.84096  Sterimol/L: 14.5888 
 
 Surface and Volume Properties
  Accessible surface: 458.786  Positive charged surface: 259.59  Negative charged surface: 199.197  Volume: 239.25
  Hydrophobic surface: 407.573  Hydrophilic surface: 51.213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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.