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ASINEX-ZINC04968568

 MMsINC code: MMs00417552
Type: Neutral
Formula: C12H14F2N2O
SMILES:   Fc1cc(NC(=O)CN2CCCC2)ccc1F
InChI:   InChI=1/C12H14F2N2O/c13-10-4-3-9(7-11(10)14)15-12(17)8-16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2,(H,15,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.0631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.253 g/mol  logS: -2.6272  SlogP: 1.9991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0643382  Sterimol/B1: 2.44885  Sterimol/B2: 2.75428  Sterimol/B3: 3.8425
  Sterimol/B4: 5.16843  Sterimol/L: 14.6165 
 
 Surface and Volume Properties
  Accessible surface: 452.285  Positive charged surface: 295.204  Negative charged surface: 157.081  Volume: 217.375
  Hydrophobic surface: 410.716  Hydrophilic surface: 41.569
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00417553
ASINEX-ZINC04968568