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


AURORAFEINCHEMIE-ZINC04090537

 MMsINC code: MMs00468574
Type: Neutral
Formula: C18H32N4O5
SMILES:   OC(=O)C(NC(=O)C1CCC(CC1)CNC(=O)C(N)CC(C)C)CC(=O)N
InChI:   InChI=1/C18H32N4O5/c1-10(2)7-13(19)17(25)21-9-11-3-5-12(6-4-11)16(24)22-14(18(26)27)8-15(20)23/h10-14H,3-9,19H2,1-2H3,(H2,20,23)(H,21,25)(H,22,24)(H,26,27)/t11-,12-,13-,14-/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)=50.7858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.477 g/mol  logS: -2.13151  SlogP: -0.2728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0674251  Sterimol/B1: 2.966  Sterimol/B2: 3.35985  Sterimol/B3: 4.85959
  Sterimol/B4: 7.05485  Sterimol/L: 19.2704 
 
 Surface and Volume Properties
  Accessible surface: 691.412  Positive charged surface: 500.763  Negative charged surface: 190.649  Volume: 372.875
  Hydrophobic surface: 356.809  Hydrophilic surface: 334.603
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.