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


ASINEX-ZINC04902361

 MMsINC code: MMs00399348
Type: Neutral
Formula: C20H30N2O4
SMILES:   O(Cc1ccccc1)C(=O)C(NC(=O)C(NC(=O)C)CC(C)C)C(C)C
InChI:   InChI=1/C20H30N2O4/c1-13(2)11-17(21-15(5)23)19(24)22-18(14(3)4)20(25)26-12-16-9-7-6-8-10-16/h6-10,13-14,17-18H,11-12H2,1-5H3,(H,21,23)(H,22,24)/t17-,18+/m1/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)=97.931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.47 g/mol  logS: -4.40928  SlogP: 2.6878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.091469  Sterimol/B1: 2.26401  Sterimol/B2: 3.17113  Sterimol/B3: 5.55602
  Sterimol/B4: 6.70274  Sterimol/L: 19.1332 
 
 Surface and Volume Properties
  Accessible surface: 666.104  Positive charged surface: 436.802  Negative charged surface: 229.303  Volume: 371.125
  Hydrophobic surface: 503.523  Hydrophilic surface: 162.581
 
 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.