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


NCID-ZINC05030931

 MMsINC code: MMs02430719
Type: Neutral
Formula: C27H28N2O5
SMILES:   O(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(OC)=O
InChI:   InChI=1/C27H28N2O5/c1-33-26(31)24(18-21-13-7-3-8-14-21)28-25(30)23(17-20-11-5-2-6-12-20)29-27(32)34-19-22-15-9-4-10-16-22/h2-16,23-24H,17-19H2,1H3,(H,28,30)(H,29,32)/t23-,24+/m0/s1

Download   format file 
Drug Similarity  |  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)=103.817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.53 g/mol  logS: -5.84731  SlogP: 3.69094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119087  Sterimol/B1: 2.11511  Sterimol/B2: 3.83798  Sterimol/B3: 6.67061
  Sterimol/B4: 10.6728  Sterimol/L: 17.7213 
 
 Surface and Volume Properties
  Accessible surface: 770.833  Positive charged surface: 479.409  Negative charged surface: 291.424  Volume: 450.25
  Hydrophobic surface: 667.078  Hydrophilic surface: 103.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.