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


ENAMINE-ZINC07140995

 MMsINC code: MMs01722624
Type: Neutral
Formula: C11H23N3O2
SMILES:   O=C(NC(=O)N)C(NC(CC)CC)C(C)C
InChI:   InChI=1/C11H23N3O2/c1-5-8(6-2)13-9(7(3)4)10(15)14-11(12)16/h7-9,13H,5-6H2,1-4H3,(H3,12,14,15,16)/t9-/m1/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)=38.8659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.324 g/mol  logS: -1.65328  SlogP: 0.9841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174679  Sterimol/B1: 2.56644  Sterimol/B2: 3.15878  Sterimol/B3: 4.40767
  Sterimol/B4: 7.65386  Sterimol/L: 13.2077 
 
 Surface and Volume Properties
  Accessible surface: 451.717  Positive charged surface: 312.71  Negative charged surface: 139.006  Volume: 237.75
  Hydrophobic surface: 231.499  Hydrophilic surface: 220.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs01722625
ENAMINE-ZINC07140995