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NANOSIN-ZINC01507183

 MMsINC code: MMs02195355
Type: Neutral
Formula: C13H7F4NO2
SMILES:   Fc1c(C(O)=O)c(Nc2ccccc2)c(F)c(F)c1F
InChI:   InChI=1/C13H7F4NO2/c14-8-7(13(19)20)12(11(17)10(16)9(8)15)18-6-4-2-1-3-5-6/h1-5,18H,(H,19,20)

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Potential Energy
Epot(MMFF94)=69.3614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.196 g/mol  logS: -4.15452  SlogP: 3.6848  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173021  Sterimol/B1: 2.79885  Sterimol/B2: 3.7433  Sterimol/B3: 4.16771
  Sterimol/B4: 5.98228  Sterimol/L: 12.3806 
 
 Surface and Volume Properties
  Accessible surface: 443.375  Positive charged surface: 191.696  Negative charged surface: 251.679  Volume: 219.5
  Hydrophobic surface: 344.964  Hydrophilic surface: 98.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02195356
NANOSIN-ZINC01507183