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


PUBCHEM-ZINC06862769

 MMsINC code: MMs03880990
Type: Neutral
Formula: C14H20N4O5
SMILES:   O=C1NC(=O)NC=C1C(=O)NC(C(=O)NC1CCCCC1)CO
InChI:   InChI=1/C14H20N4O5/c19-7-10(13(22)16-8-4-2-1-3-5-8)17-11(20)9-6-15-14(23)18-12(9)21/h6,8,10,19H,1-5,7H2,(H,16,22)(H,17,20)(H2,15,18,21,23)/t10-/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)=10.5417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.337 g/mol  logS: -2.03638  SlogP: -1.3643  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685351  Sterimol/B1: 2.92494  Sterimol/B2: 3.6718  Sterimol/B3: 4.74433
  Sterimol/B4: 5.17272  Sterimol/L: 17.36 
 
 Surface and Volume Properties
  Accessible surface: 556.194  Positive charged surface: 387.906  Negative charged surface: 168.288  Volume: 287.875
  Hydrophobic surface: 301.303  Hydrophilic surface: 254.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.