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


PUBCHEM-ZINC02000497

 MMsINC code: MMs02842814
Type: Neutral
Formula: C10H23NO
SMILES:   OC(CC(CC(NC)C)C)(C)C
InChI:   InChI=1/C10H23NO/c1-8(6-9(2)11-5)7-10(3,4)12/h8-9,11-12H,6-7H2,1-5H3/t8-,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)=41.0561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.3 g/mol  logS: -1.2571  SlogP: 1.7815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143953  Sterimol/B1: 1.969  Sterimol/B2: 3.65498  Sterimol/B3: 4.24694
  Sterimol/B4: 4.86686  Sterimol/L: 12.1734 
 
 Surface and Volume Properties
  Accessible surface: 409.81  Positive charged surface: 317.413  Negative charged surface: 92.3968  Volume: 206
  Hydrophobic surface: 293.167  Hydrophilic surface: 116.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02842815
PUBCHEM-ZINC02000497