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


ASINEX-ZINC00279809

 MMsINC code: MMs00106925
Type: Neutral
Formula: C18H24N2O5
SMILES:   O(CC)c1cc(ccc1O)C1NC(=O)NC(C)=C1C(OC(C)(C)C)=O
InChI:   InChI=1/C18H24N2O5/c1-6-24-13-9-11(7-8-12(13)21)15-14(10(2)19-17(23)20-15)16(22)25-18(3,4)5/h7-9,15,21H,6H2,1-5H3,(H2,19,20,23)/t15-/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)=66.6858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.399 g/mol  logS: -3.51483  SlogP: 2.856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.263691  Sterimol/B1: 2.37814  Sterimol/B2: 4.92634  Sterimol/B3: 6.2097
  Sterimol/B4: 6.50898  Sterimol/L: 13.9725 
 
 Surface and Volume Properties
  Accessible surface: 581.048  Positive charged surface: 392.167  Negative charged surface: 188.881  Volume: 331.375
  Hydrophobic surface: 352.733  Hydrophilic surface: 228.315
 
 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: no related molecules available.