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NCID-ZINC01682083

 MMsINC code: MMs02315923
Type: Neutral
Formula: C8H5FO4
SMILES:   Fc1ccc(cc1C(O)=O)C(O)=O
InChI:   InChI=1/C8H5FO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)

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Potential Energy
Epot(MMFF94)=23.5441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.122 g/mol  logS: -1.61866  SlogP: 1.2221  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.45867e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09832  Sterimol/B3: 3.36988
  Sterimol/B4: 5.2123  Sterimol/L: 10.9574 
 
 Surface and Volume Properties
  Accessible surface: 331.193  Positive charged surface: 167.612  Negative charged surface: 163.581  Volume: 147.25
  Hydrophobic surface: 145.656  Hydrophilic surface: 185.537
 
 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


MMs02315924
NCID-ZINC01682083