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ASINEX-ZINC04998671

 MMsINC code: MMs00427827
Type: Ionized
Formula: C11H10FO3-
SMILES:   Fc1ccc(cc1C)C(=O)CCC(=O)[O-]
InChI:   InChI=1/C11H11FO3/c1-7-6-8(2-3-9(7)12)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.8262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.196 g/mol  logS: -2.16537  SlogP: 0.84692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0190613  Sterimol/B1: 2.39068  Sterimol/B2: 2.51076  Sterimol/B3: 2.61036
  Sterimol/B4: 5.59867  Sterimol/L: 13.951 
 
 Surface and Volume Properties
  Accessible surface: 409.554  Positive charged surface: 210.087  Negative charged surface: 199.467  Volume: 188
  Hydrophobic surface: 278.742  Hydrophilic surface: 130.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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
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Parent related molecule:


MMs00427826
ASINEX-ZINC04998671