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


PUBCHEM-ZINC02873324

 MMsINC code: MMs02949548
Type: Neutral
Formula: C13H19FN2O
SMILES:   Fc1ccc(cc1)C(=O)NCC(CN(C)C)C
InChI:   InChI=1/C13H19FN2O/c1-10(9-16(2)3)8-15-13(17)11-4-6-12(14)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)/t10-/m0/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)=40.4961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.306 g/mol  logS: -2.12742  SlogP: 1.7532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0511313  Sterimol/B1: 2.2675  Sterimol/B2: 3.46347  Sterimol/B3: 4.73444
  Sterimol/B4: 5.04474  Sterimol/L: 16.0212 
 
 Surface and Volume Properties
  Accessible surface: 491.75  Positive charged surface: 342.624  Negative charged surface: 149.126  Volume: 245.25
  Hydrophobic surface: 432.182  Hydrophilic surface: 59.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02949549
PUBCHEM-ZINC02873324