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


ENAMINE-ZINC04979816

 MMsINC code: MMs01571662
Type: Neutral
Formula: C20H29NO4
SMILES:   O(CCC(OCC(=O)NC1CCCC(C)C1C)=O)c1ccc(cc1)C
InChI:   InChI=1/C20H29NO4/c1-14-7-9-17(10-8-14)24-12-11-20(23)25-13-19(22)21-18-6-4-5-15(2)16(18)3/h7-10,15-16,18H,4-6,11-13H2,1-3H3,(H,21,22)/t15-,16-,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)=66.7869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.455 g/mol  logS: -4.55997  SlogP: 3.24802  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.026408  Sterimol/B1: 3.32913  Sterimol/B2: 3.68381  Sterimol/B3: 4.15342
  Sterimol/B4: 4.59114  Sterimol/L: 22.2938 
 
 Surface and Volume Properties
  Accessible surface: 676.813  Positive charged surface: 460.701  Negative charged surface: 216.113  Volume: 353.75
  Hydrophobic surface: 556.246  Hydrophilic surface: 120.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.