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


SIAL-ZINC04556773

 MMsINC code: MMs03922767
Type: Neutral
Formula: C11H20N2O3
SMILES:   OC(=O)C1N(CCC1)C(=O)C(N)CC(C)C
InChI:   InChI=1/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t8-,9-/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)=54.0371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.45612  SlogP: 0.4354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181803  Sterimol/B1: 3.03481  Sterimol/B2: 3.97703  Sterimol/B3: 3.99439
  Sterimol/B4: 5.23673  Sterimol/L: 12.3515 
 
 Surface and Volume Properties
  Accessible surface: 446.23  Positive charged surface: 321.254  Negative charged surface: 124.975  Volume: 225.875
  Hydrophobic surface: 252.761  Hydrophilic surface: 193.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.