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


ASINEX-ZINC02961982

 MMsINC code: MMs00282203
Type: Neutral
Formula: C19H23N3O5
SMILES:   o1nc(NC(=O)COC(=O)C(NC(=O)c2ccccc2)CC(C)C)cc1C
InChI:   InChI=1/C19H23N3O5/c1-12(2)9-15(20-18(24)14-7-5-4-6-8-14)19(25)26-11-17(23)21-16-10-13(3)27-22-16/h4-8,10,12,15H,9,11H2,1-3H3,(H,20,24)(H,21,22,23)/t15-/m0/s1

Download   format file 
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)=87.9914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.409 g/mol  logS: -4.76603  SlogP: 2.30942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387519  Sterimol/B1: 2.76284  Sterimol/B2: 4.64747  Sterimol/B3: 4.68107
  Sterimol/B4: 5.01184  Sterimol/L: 20.9807 
 
 Surface and Volume Properties
  Accessible surface: 669.47  Positive charged surface: 394.877  Negative charged surface: 274.593  Volume: 352.875
  Hydrophobic surface: 488.897  Hydrophilic surface: 180.573
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.