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ACROSORGANICS-ZINC02569984

 MMsINC code: MMs00014612
Type: Neutral
Formula: C11H13FO2
SMILES:   Fc1ccc(cc1)CCCCC(O)=O
InChI:   InChI=1/C11H13FO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.4114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.221 g/mol  logS: -2.62309  SlogP: 2.62307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0660347  Sterimol/B1: 2.42151  Sterimol/B2: 2.91103  Sterimol/B3: 3.01964
  Sterimol/B4: 4.81812  Sterimol/L: 14.7964 
 
 Surface and Volume Properties
  Accessible surface: 417.292  Positive charged surface: 248.413  Negative charged surface: 168.879  Volume: 191.75
  Hydrophobic surface: 317.025  Hydrophilic surface: 100.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00014613
ACROSORGANICS-ZINC02569984