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


IFLAB-ZINC05258682

 MMsINC code: MMs02087736
Type: Neutral
Formula: C16H23FN2O3
SMILES:   Fc1cc(NC(=O)CC(NCCCCCC)C(O)=O)ccc1
InChI:   InChI=1/C16H23FN2O3/c1-2-3-4-5-9-18-14(16(21)22)11-15(20)19-13-8-6-7-12(17)10-13/h6-8,10,14,18H,2-5,9,11H2,1H3,(H,19,20)(H,21,22)/t14-/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)=45.4448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.369 g/mol  logS: -3.60129  SlogP: 2.7774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0568065  Sterimol/B1: 3.13603  Sterimol/B2: 3.49717  Sterimol/B3: 4.3523
  Sterimol/B4: 9.2802  Sterimol/L: 16.7736 
 
 Surface and Volume Properties
  Accessible surface: 606.85  Positive charged surface: 403.623  Negative charged surface: 203.227  Volume: 303.375
  Hydrophobic surface: 453.131  Hydrophilic surface: 153.719
 
 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.