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


CHEMDIV-ZINC02933159

 MMsINC code: MMs00893772
Type: Neutral
Formula: C14H23FN2
SMILES:   Fc1ccccc1CNCCCN(CC)CC
InChI:   InChI=1/C14H23FN2/c1-3-17(4-2)11-7-10-16-12-13-8-5-6-9-14(13)15/h5-6,8-9,16H,3-4,7,10-12H2,1-2H3

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)=25.535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.35 g/mol  logS: -2.17444  SlogP: 2.9136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0537565  Sterimol/B1: 2.49969  Sterimol/B2: 2.53722  Sterimol/B3: 4.23138
  Sterimol/B4: 6.24186  Sterimol/L: 15.6885 
 
 Surface and Volume Properties
  Accessible surface: 523.693  Positive charged surface: 368.864  Negative charged surface: 154.829  Volume: 263.25
  Hydrophobic surface: 460.417  Hydrophilic surface: 63.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00893773
CHEMDIV-ZINC02933159