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


CHEMBLOCK-ZINC03623652

 MMsINC code: MMs00538531
Type: Neutral
Formula: C20H23NO4
SMILES:   O(CCC)c1ccc(cc1)C(NC(=O)c1cc(ccc1)C)CC(O)=O
InChI:   InChI=1/C20H23NO4/c1-3-11-25-17-9-7-15(8-10-17)18(13-19(22)23)21-20(24)16-6-4-5-14(2)12-16/h4-10,12,18H,3,11,13H2,1-2H3,(H,21,24)(H,22,23)/t18-/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)=59.532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.407 g/mol  logS: -4.22995  SlogP: 3.82512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459786  Sterimol/B1: 2.49685  Sterimol/B2: 2.99603  Sterimol/B3: 4.23587
  Sterimol/B4: 9.65818  Sterimol/L: 18.87 
 
 Surface and Volume Properties
  Accessible surface: 634.938  Positive charged surface: 393.512  Negative charged surface: 241.426  Volume: 338.75
  Hydrophobic surface: 491.281  Hydrophilic surface: 143.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00538532
CHEMBLOCK-ZINC03623652