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


CHEMDIV-ZINC05185293

 MMsINC code: MMs00994622
Type: Neutral
Formula: C18H34N2O5
SMILES:   O(C(=O)C(NC(=O)C(NC(OC(C)(C)C)=O)C(C)C)CC(C)C)CC
InChI:   InChI=1/C18H34N2O5/c1-9-24-16(22)13(10-11(2)3)19-15(21)14(12(4)5)20-17(23)25-18(6,7)8/h11-14H,9-10H2,1-8H3,(H,19,21)(H,20,23)/t13-,14-/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)=78.3522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.479 g/mol  logS: -4.01968  SlogP: 2.6297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474346  Sterimol/B1: 3.19231  Sterimol/B2: 3.79772  Sterimol/B3: 4.3626
  Sterimol/B4: 6.51093  Sterimol/L: 18.7119 
 
 Surface and Volume Properties
  Accessible surface: 670.84  Positive charged surface: 478.637  Negative charged surface: 192.203  Volume: 369.75
  Hydrophobic surface: 443.097  Hydrophilic surface: 227.743
 
 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.