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NCID-ZINC01610390

 MMsINC code: MMs02261209
Type: Neutral
Formula: C8H3F2IO4
SMILES:   Ic1c(F)c(cc(C(O)=O)c1F)C(O)=O
InChI:   InChI=1/C8H3F2IO4/c9-4-2(7(12)13)1-3(8(14)15)5(10)6(4)11/h1H,(H,12,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=23.0739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.008 g/mol  logS: -2.90516  SlogP: 1.9658  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.39599e-07  Sterimol/B1: 2.35686  Sterimol/B2: 2.35914  Sterimol/B3: 3.16096
  Sterimol/B4: 7.24314  Sterimol/L: 10.5618 
 
 Surface and Volume Properties
  Accessible surface: 376.941  Positive charged surface: 144.309  Negative charged surface: 232.632  Volume: 178
  Hydrophobic surface: 192.691  Hydrophilic surface: 184.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02261210
NCID-ZINC01610390