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


NCID-ZINC06002254

 MMsINC code: MMs02514425
Type: Neutral
Formula: C10H14NO3P
SMILES:   P(OC)(=O)(\C(=N\O)\Cc1ccccc1)C
InChI:   InChI=1/C10H14NO3P/c1-14-15(2,13)10(11-12)8-9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3/b11-10-/t15-/m0/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)=70.0026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.2 g/mol  logS: -1.38872  SlogP: 1.50087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113496  Sterimol/B1: 2.83789  Sterimol/B2: 3.31145  Sterimol/B3: 3.91924
  Sterimol/B4: 5.16653  Sterimol/L: 13.4266 
 
 Surface and Volume Properties
  Accessible surface: 442.219  Positive charged surface: 294.773  Negative charged surface: 147.446  Volume: 216.375
  Hydrophobic surface: 335.827  Hydrophilic surface: 106.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.