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OAKWOOD-ZINC02528698

 MMsINC code: MMs02544524
Type: Neutral
Formula: C7H4FIO2
SMILES:   Ic1cc(cc(F)c1)C(O)=O
InChI:   InChI=1/C7H4FIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)

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Potential Energy
Epot(MMFF94)=14.1759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.009 g/mol  logS: -2.64078  SlogP: 2.1285  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.21896e-07  Sterimol/B1: 2.35626  Sterimol/B2: 2.35974  Sterimol/B3: 2.51611
  Sterimol/B4: 6.7301  Sterimol/L: 9.81833 
 
 Surface and Volume Properties
  Accessible surface: 340.929  Positive charged surface: 114.202  Negative charged surface: 226.727  Volume: 151.625
  Hydrophobic surface: 244.026  Hydrophilic surface: 96.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02544525
OAKWOOD-ZINC02528698