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


PUBCHEM-ZINC06202725

 MMsINC code: MMs03610321
Type: Ionized
Formula: C11H19N2O3-
SMILES:   O=C([O-])C(NC(=O)NC1CCC(CC1)C)C
InChI:   InChI=1/C11H20N2O3/c1-7-3-5-9(6-4-7)13-11(16)12-8(2)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/p-1/t7-,8-,9-/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)=-2.55712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.284 g/mol  logS: -2.17419  SlogP: 0.0027  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0746896  Sterimol/B1: 3.36257  Sterimol/B2: 3.43099  Sterimol/B3: 3.97272
  Sterimol/B4: 4.10076  Sterimol/L: 15.3833 
 
 Surface and Volume Properties
  Accessible surface: 466.478  Positive charged surface: 320.953  Negative charged surface: 145.525  Volume: 225.125
  Hydrophobic surface: 288.373  Hydrophilic surface: 178.105
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  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:  
   
Parent related molecule:


MMs03610320
PUBCHEM-ZINC06202725