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


IBS-ZINC02296824

 MMsINC code: MMs01826570
Type: Neutral
Formula: C15H29N2O6P
SMILES:   P(OCC)(OCC)(=O)C(NC(=O)NC1CCCCC1)C(OCC)=O
InChI:   InChI=1/C15H29N2O6P/c1-4-21-14(18)13(24(20,22-5-2)23-6-3)17-15(19)16-12-10-8-7-9-11-12/h12-13H,4-11H2,1-3H3,(H2,16,17,19)/t13-/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)=12.4202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.379 g/mol  logS: -2.36684  SlogP: 1.7034  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0687867  Sterimol/B1: 2.38819  Sterimol/B2: 3.64274  Sterimol/B3: 3.80435
  Sterimol/B4: 12.5174  Sterimol/L: 16.9818 
 
 Surface and Volume Properties
  Accessible surface: 679.016  Positive charged surface: 508.066  Negative charged surface: 170.95  Volume: 345.75
  Hydrophobic surface: 503.65  Hydrophilic surface: 175.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.