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


OAKWOOD-ZINC04293964

 MMsINC code: MMs02551637
Type: Neutral
Formula: C12H15FN2O
SMILES:   Fc1ccccc1C(=O)NC1CCNCC1
InChI:   InChI=1/C12H15FN2O/c13-11-4-2-1-3-10(11)12(16)15-9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H,15,16)

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)=24.6434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.263 g/mol  logS: -2.14531  SlogP: 1.3075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0649007  Sterimol/B1: 2.47474  Sterimol/B2: 2.77639  Sterimol/B3: 3.58125
  Sterimol/B4: 5.2903  Sterimol/L: 13.7447 
 
 Surface and Volume Properties
  Accessible surface: 430.899  Positive charged surface: 289.594  Negative charged surface: 141.305  Volume: 213.625
  Hydrophobic surface: 371.607  Hydrophilic surface: 59.292
 
 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


MMs02551638
OAKWOOD-ZINC04293964