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


NCID-ZINC01752323

 MMsINC code: MMs02362628
Type: Neutral
Formula: C14H19ClFNO2
SMILES:   ClCCN(CCF)c1ccc(cc1)CCCC(O)=O
InChI:   InChI=1/C14H19ClFNO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)

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)=54.804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.762 g/mol  logS: -2.82927  SlogP: 3.10857  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0693802  Sterimol/B1: 3.41637  Sterimol/B2: 3.65013  Sterimol/B3: 3.86553
  Sterimol/B4: 6.42627  Sterimol/L: 16.058 
 
 Surface and Volume Properties
  Accessible surface: 533.053  Positive charged surface: 311.947  Negative charged surface: 221.106  Volume: 270.75
  Hydrophobic surface: 312.581  Hydrophilic surface: 220.472
 
 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


MMs02362629
NCID-ZINC01752323