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


IFLAB-ZINC05258735

 MMsINC code: MMs02087782
Type: Neutral
Formula: C14H18F2N2O3
SMILES:   Fc1cc(F)ccc1NC(=O)CC(NCCCC)C(O)=O
InChI:   InChI=1/C14H18F2N2O3/c1-2-3-6-17-12(14(20)21)8-13(19)18-11-5-4-9(15)7-10(11)16/h4-5,7,12,17H,2-3,6,8H2,1H3,(H,18,19)(H,20,21)/t12-/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)=50.1844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.305 g/mol  logS: -2.86583  SlogP: 2.1363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0707782  Sterimol/B1: 2.18148  Sterimol/B2: 3.03764  Sterimol/B3: 4.06937
  Sterimol/B4: 9.21235  Sterimol/L: 14.866 
 
 Surface and Volume Properties
  Accessible surface: 551.125  Positive charged surface: 339.012  Negative charged surface: 212.113  Volume: 269.125
  Hydrophobic surface: 403.06  Hydrophilic surface: 148.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: no related molecules available.