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


ENAMINE-ZINC07140995

 MMsINC code: MMs01722625
Type: Ionized
Formula: C11H24N3O2+
SMILES:   O=C(NC(=O)N)C([NH2+]C(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)/p+1/t9-/m1/s1

Download   format file 
Drug Similarity  |  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)=-0.537654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.332 g/mol  logS: -1.62889  SlogP: -0.0421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161659  Sterimol/B1: 2.57925  Sterimol/B2: 3.02081  Sterimol/B3: 4.40382
  Sterimol/B4: 8.04381  Sterimol/L: 13.5605 
 
 Surface and Volume Properties
  Accessible surface: 470.529  Positive charged surface: 330.746  Negative charged surface: 139.782  Volume: 245
  Hydrophobic surface: 250.608  Hydrophilic surface: 219.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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:  
   
Parent related molecule:


MMs01722624
ENAMINE-ZINC07140995