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APOLLO-ZINC02560152

 MMsINC code: MMs00053785
Type: Ionized
Formula: C8H2F5O2-
SMILES:   Fc1c(F)c(ccc1C(=O)[O-])C(F)(F)F
InChI:   InChI=1/C8H3F5O2/c9-5-3(7(14)15)1-2-4(6(5)10)8(11,12)13/h1-2H,(H,14,15)/p-1

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Potential Energy
Epot(MMFF94)=23.9207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.092 g/mol  logS: -3.26124  SlogP: 1.6586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301531  Sterimol/B1: 2.47151  Sterimol/B2: 2.53766  Sterimol/B3: 2.63122
  Sterimol/B4: 5.09424  Sterimol/L: 10.2965 
 
 Surface and Volume Properties
  Accessible surface: 333.098  Positive charged surface: 78.6551  Negative charged surface: 254.443  Volume: 147.125
  Hydrophobic surface: 147.939  Hydrophilic surface: 185.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs00053784
APOLLO-ZINC02560152