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PUBCHEM-ZINC06524580

 MMsINC code: MMs03782631
Type: Neutral
Formula: C14H7F6NO2
SMILES:   Fc1c(F)c2NC(OC(c2cc1F)(C#CC1CC1)C(F)(F)F)=O
InChI:   InChI=1/C14H7F6NO2/c15-8-5-7-11(10(17)9(8)16)21-12(22)23-13(7,14(18,19)20)4-3-6-1-2-6/h5-6H,1-2H2,(H,21,22)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=53.1182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.203 g/mol  logS: -5.93157  SlogP: 4.56841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12783  Sterimol/B1: 3.67167  Sterimol/B2: 3.72046  Sterimol/B3: 3.96821
  Sterimol/B4: 6.76275  Sterimol/L: 13.2722 
 
 Surface and Volume Properties
  Accessible surface: 485.862  Positive charged surface: 194.599  Negative charged surface: 291.263  Volume: 243.75
  Hydrophobic surface: 275.128  Hydrophilic surface: 210.734
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.