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


PUBCHEM-ZINC02023260

 MMsINC code: MMs02857218
Type: Neutral
Formula: C11H25NO2
SMILES:   OC(C(NCCC)CCCCC)CO
InChI:   InChI=1/C11H25NO2/c1-3-5-6-7-10(11(14)9-13)12-8-4-2/h10-14H,3-9H2,1-2H3/t10-,11+/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)=31.3975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.326 g/mol  logS: -1.55602  SlogP: 1.2881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0816399  Sterimol/B1: 3.05972  Sterimol/B2: 3.46859  Sterimol/B3: 3.96103
  Sterimol/B4: 7.69879  Sterimol/L: 13.7091 
 
 Surface and Volume Properties
  Accessible surface: 492.159  Positive charged surface: 380.319  Negative charged surface: 111.84  Volume: 232.75
  Hydrophobic surface: 345.328  Hydrophilic surface: 146.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02857219
PUBCHEM-ZINC02023260