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


PUBCHEM-ZINC05625063

 MMsINC code: MMs03327648
Type: Neutral
Formula: C15H25N5O3
SMILES:   O=C1NC(=O)N(CC(C)C)C(NC(=O)CN2CCN(CC2)C)=C1
InChI:   InChI=1/C15H25N5O3/c1-11(2)9-20-12(8-13(21)17-15(20)23)16-14(22)10-19-6-4-18(3)5-7-19/h8,11H,4-7,9-10H2,1-3H3,(H,16,22)(H,17,21,23)

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)=64.5643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.397 g/mol  logS: -1.50976  SlogP: -0.6008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606507  Sterimol/B1: 3.42964  Sterimol/B2: 3.67523  Sterimol/B3: 3.91377
  Sterimol/B4: 7.48157  Sterimol/L: 15.8025 
 
 Surface and Volume Properties
  Accessible surface: 571.02  Positive charged surface: 438.966  Negative charged surface: 132.054  Volume: 311
  Hydrophobic surface: 386.803  Hydrophilic surface: 184.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03327649
PUBCHEM-ZINC05625063