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


IFLAB-ZINC02711199

 MMsINC code: MMs01998518
Type: Neutral
Formula: C10H15N3O3
SMILES:   O=C1N(C)C(=O)N(C)C(NC(=O)CCC)=C1
InChI:   InChI=1/C10H15N3O3/c1-4-5-8(14)11-7-6-9(15)13(3)10(16)12(7)2/h6H,4-5H2,1-3H3,(H,11,14)

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)=7.02442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.248 g/mol  logS: -1.45275  SlogP: 0.2679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0507835  Sterimol/B1: 2.84775  Sterimol/B2: 3.14863  Sterimol/B3: 4.10057
  Sterimol/B4: 4.17118  Sterimol/L: 14.2563 
 
 Surface and Volume Properties
  Accessible surface: 439.949  Positive charged surface: 327.023  Negative charged surface: 112.925  Volume: 210.625
  Hydrophobic surface: 296.122  Hydrophilic surface: 143.827
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.