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ACROSORGANICS-ZINC01602066

 MMsINC code: MMs00009801
Type: Ionized
Formula: C10H10FO2-
SMILES:   Fc1ccc(cc1)CCCC(=O)[O-]
InChI:   InChI=1/C10H11FO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.3789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.186 g/mol  logS: -2.36832  SlogP: 0.89827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949215  Sterimol/B1: 2.43216  Sterimol/B2: 2.81949  Sterimol/B3: 4.14973
  Sterimol/B4: 4.85375  Sterimol/L: 13.276 
 
 Surface and Volume Properties
  Accessible surface: 383.725  Positive charged surface: 197.93  Negative charged surface: 185.795  Volume: 172.25
  Hydrophobic surface: 284.347  Hydrophilic surface: 99.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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:


MMs00009800
ACROSORGANICS-ZINC01602066