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


ENAMINE-ZINC03487484

 MMsINC code: MMs01469275
Type: Neutral
Formula: C11H18N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC)C(=O)NC1CC(C)C
InChI:   InChI=1/C11H18N4O4/c1-6(2)4-7-9(17)15(11(19)13-7)5-8(16)14-10(18)12-3/h6-7H,4-5H2,1-3H3,(H,13,19)(H2,12,14,16,18)/t7-/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)=-5.6953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.289 g/mol  logS: -1.99501  SlogP: -0.5915  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510452  Sterimol/B1: 2.02781  Sterimol/B2: 3.6991  Sterimol/B3: 4.14019
  Sterimol/B4: 6.29402  Sterimol/L: 16.5203 
 
 Surface and Volume Properties
  Accessible surface: 507.224  Positive charged surface: 360.08  Negative charged surface: 147.145  Volume: 246
  Hydrophobic surface: 255.367  Hydrophilic surface: 251.857
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.