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


PUBCHEM-ZINC06364813

 MMsINC code: MMs03688886
Type: Neutral
Formula: C19H32N4O5
SMILES:   OC1C(NC(=O)NC2CCCCC2)C=C(CC1O)C(=O)NC(C(C)C)C(=O)N
InChI:   InChI=1/C19H32N4O5/c1-10(2)15(17(20)26)23-18(27)11-8-13(16(25)14(24)9-11)22-19(28)21-12-6-4-3-5-7-12/h8,10,12-16,24-25H,3-7,9H2,1-2H3,(H2,20,26)(H,23,27)(H2,21,22,28)/t13-,14+,15-,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)=31.942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.488 g/mol  logS: -2.39844  SlogP: -0.3351  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0594846  Sterimol/B1: 2.02798  Sterimol/B2: 4.5063  Sterimol/B3: 6.22865
  Sterimol/B4: 6.9571  Sterimol/L: 19.2448 
 
 Surface and Volume Properties
  Accessible surface: 697.092  Positive charged surface: 504.286  Negative charged surface: 192.807  Volume: 381.875
  Hydrophobic surface: 395.077  Hydrophilic surface: 302.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.