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PUBCHEM-ZINC05642283

 MMsINC code: MMs03332667
Type: Neutral
Formula: C10H6F2IN3O
SMILES:   Ic1c[nH]nc1C(=O)Nc1ccc(F)cc1F
InChI:   InChI=1/C10H6F2IN3O/c11-5-1-2-8(6(12)3-5)15-10(17)9-7(13)4-14-16-9/h1-4H,(H,14,16)(H,15,17)

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Potential Energy
Epot(MMFF94)=55.8333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.078 g/mol  logS: -3.52531  SlogP: 2.5448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0114696  Sterimol/B1: 2.10483  Sterimol/B2: 3.47756  Sterimol/B3: 3.97404
  Sterimol/B4: 5.35834  Sterimol/L: 13.9265 
 
 Surface and Volume Properties
  Accessible surface: 438.176  Positive charged surface: 174.943  Negative charged surface: 263.233  Volume: 213.875
  Hydrophobic surface: 319.514  Hydrophilic surface: 118.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: no related molecules available.