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


PUBCHEM-ZINC02572709

 MMsINC code: MMs02903166
Type: Neutral
Formula: C10H22N2O2
SMILES:   O(C(C)(C)C)C(=O)NCC(CN)(C)C
InChI:   InChI=1/C10H22N2O2/c1-9(2,3)14-8(13)12-7-10(4,5)6-11/h6-7,11H2,1-5H3,(H,12,13)

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)=23.9692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.298 g/mol  logS: -1.11823  SlogP: 1.496  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100572  Sterimol/B1: 2.27078  Sterimol/B2: 2.66722  Sterimol/B3: 4.01709
  Sterimol/B4: 5.05698  Sterimol/L: 14.1089 
 
 Surface and Volume Properties
  Accessible surface: 449.07  Positive charged surface: 333.313  Negative charged surface: 115.757  Volume: 220
  Hydrophobic surface: 274.263  Hydrophilic surface: 174.807
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02903167
PUBCHEM-ZINC02572709