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NCID-ZINC01602188

 MMsINC code: MMs02255070
Type: Neutral
Formula: C13H9FO
SMILES:   Fc1c2c(-c3c(cccc3)C2O)ccc1
InChI:   InChI=1/C13H9FO/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11/h1-7,13,15H/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.7261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.212 g/mol  logS: -3.99966  SlogP: 2.9833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210199  Sterimol/B1: 2.64352  Sterimol/B2: 2.66755  Sterimol/B3: 2.93502
  Sterimol/B4: 5.66208  Sterimol/L: 12.0176 
 
 Surface and Volume Properties
  Accessible surface: 383.298  Positive charged surface: 189.194  Negative charged surface: 182.702  Volume: 189
  Hydrophobic surface: 341.639  Hydrophilic surface: 41.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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
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Ions/Tautomers related molecules: no related molecules available.