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


ASINEX-ZINC05027336

 MMsINC code: MMs00438751
Type: Neutral
Formula: C19H25NO6
SMILES:   O1C2C(OC1(C)C)C1OC(OC1OC2C(=O)NCc1ccccc1)(C)C
InChI:   InChI=1/C19H25NO6/c1-18(2)23-12-13(24-18)15-17(26-19(3,4)25-15)22-14(12)16(21)20-10-11-8-6-5-7-9-11/h5-9,12-15,17H,10H2,1-4H3,(H,20,21)/t12-,13+,14+,15+,17-/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)=192.654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.41 g/mol  logS: -3.99222  SlogP: 1.9657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903107  Sterimol/B1: 1.969  Sterimol/B2: 3.49537  Sterimol/B3: 4.63641
  Sterimol/B4: 8.00272  Sterimol/L: 17.2615 
 
 Surface and Volume Properties
  Accessible surface: 582.118  Positive charged surface: 374.795  Negative charged surface: 207.324  Volume: 334
  Hydrophobic surface: 423.829  Hydrophilic surface: 158.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.