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


ACROSORGANICS-ZINC02568076

 MMsINC code: MMs00014540
Type: Neutral
Formula: C14H18FNO4
SMILES:   Fc1ccc(cc1)CC(NC(OC(C)(C)C)=O)C(O)=O
InChI:   InChI=1/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/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)=43.403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.299 g/mol  logS: -2.94175  SlogP: 2.34607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132447  Sterimol/B1: 2.25873  Sterimol/B2: 4.11561  Sterimol/B3: 4.84921
  Sterimol/B4: 7.61836  Sterimol/L: 12.5014 
 
 Surface and Volume Properties
  Accessible surface: 520.375  Positive charged surface: 302.938  Negative charged surface: 217.436  Volume: 263.625
  Hydrophobic surface: 352.128  Hydrophilic surface: 168.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00014541
ACROSORGANICS-ZINC02568076