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


CHEMBRIDGE-ZINC00282303

 MMsINC code: MMs00600892
Type: Neutral
Formula: C15H18NO2P
SMILES:   P(Oc1ccccc1)(=O)(Nc1cc(ccc1C)C)C
InChI:   InChI=1/C15H18NO2P/c1-12-9-10-13(2)15(11-12)16-19(3,17)18-14-7-5-4-6-8-14/h4-11H,1-3H3,(H,16,17)/t19-/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)=64.5376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.288 g/mol  logS: -3.21444  SlogP: 3.54704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0863254  Sterimol/B1: 1.969  Sterimol/B2: 3.54175  Sterimol/B3: 4.00299
  Sterimol/B4: 7.73868  Sterimol/L: 14.8675 
 
 Surface and Volume Properties
  Accessible surface: 510.233  Positive charged surface: 293.394  Negative charged surface: 216.839  Volume: 268.625
  Hydrophobic surface: 449.29  Hydrophilic surface: 60.943
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.