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


PUBCHEM-ZINC06904676

 MMsINC code: MMs03895451
Type: Neutral
Formula: C15H26N7O2-3
SMILES:   O=C(NC1[N-]C(NC(=O)C2[N-]CCNC2)CCC1)C1[N-]CCNC1
InChI:   InChI=1/C15H26N7O2/c23-14(10-8-16-4-6-18-10)21-12-2-1-3-13(20-12)22-15(24)11-9-17-5-7-19-11/h10-13,16-17H,1-9H2,(H,21,23)(H,22,24)/q-3/t10-,11-,12-,13-/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)=120.928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.42 g/mol  logS: 0.34316  SlogP: -0.8804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0799211  Sterimol/B1: 2.42925  Sterimol/B2: 2.47619  Sterimol/B3: 4.86153
  Sterimol/B4: 9.17092  Sterimol/L: 16.1069 
 
 Surface and Volume Properties
  Accessible surface: 605.492  Positive charged surface: 458.396  Negative charged surface: 147.096  Volume: 323.5
  Hydrophobic surface: 428.971  Hydrophilic surface: 176.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 3  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03895452
PUBCHEM-ZINC06904676