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


PUBCHEM-ZINC06135036

 MMsINC code: MMs03555186
Type: Neutral
Formula: C23H35N3O6
SMILES:   O(C(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NCC(OC)=O
InChI:   InChI=1/C23H35N3O6/c1-15(2)12-17(20(28)24-14-19(27)31-6)25-21(29)18(13-16-10-8-7-9-11-16)26-22(30)32-23(3,4)5/h7-11,15,17-18H,12-14H2,1-6H3,(H,24,28)(H,25,29)(H,26,30)/t17-,18-/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)=120.603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 449.548 g/mol  logS: -4.96366  SlogP: 1.94247  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0494137  Sterimol/B1: 2.30355  Sterimol/B2: 2.48206  Sterimol/B3: 5.34995
  Sterimol/B4: 9.27864  Sterimol/L: 21.1053 
 
 Surface and Volume Properties
  Accessible surface: 763.878  Positive charged surface: 543.25  Negative charged surface: 220.629  Volume: 440.5
  Hydrophobic surface: 547.995  Hydrophilic surface: 215.883
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.