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PUBCHEM-ZINC06453326

 MMsINC code: MMs03741863
Type: Neutral
Formula: C13H7F2IO3
SMILES:   Ic1cc(cc(C(O)=O)c1O)-c1ccc(F)cc1F
InChI:   InChI=1/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19)

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Potential Energy
Epot(MMFF94)=56.4701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.096 g/mol  logS: -5.00019  SlogP: 3.6402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0572182  Sterimol/B1: 2.097  Sterimol/B2: 3.7673  Sterimol/B3: 5.39595
  Sterimol/B4: 5.57591  Sterimol/L: 13.1778 
 
 Surface and Volume Properties
  Accessible surface: 468.803  Positive charged surface: 188.028  Negative charged surface: 275.447  Volume: 240.75
  Hydrophobic surface: 345.149  Hydrophilic surface: 123.654
 
 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


MMs03741864
PUBCHEM-ZINC06453326