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


CHEMDIV-ZINC03895950

 MMsINC code: MMs00917692
Type: Neutral
Formula: C18H32N2O4
SMILES:   O(C(=O)CNC(=O)C(NC(=O)C1CCC(CC1)C)C(CC)C)CC
InChI:   InChI=1/C18H32N2O4/c1-5-13(4)16(18(23)19-11-15(21)24-6-2)20-17(22)14-9-7-12(3)8-10-14/h12-14,16H,5-11H2,1-4H3,(H,19,23)(H,20,22)/t12-,13-,14+,16+/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)=71.7101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.464 g/mol  logS: -4.28677  SlogP: 2.0229  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.105732  Sterimol/B1: 2.10429  Sterimol/B2: 3.21064  Sterimol/B3: 6.2499
  Sterimol/B4: 8.1431  Sterimol/L: 17.6758 
 
 Surface and Volume Properties
  Accessible surface: 641.364  Positive charged surface: 475.015  Negative charged surface: 166.349  Volume: 349.875
  Hydrophobic surface: 475.054  Hydrophilic surface: 166.31
 
 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.