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ENAMINE-ZINC00943136

 MMsINC code: MMs01236221
Type: Neutral
Formula: C19H12F3NO4
SMILES:   FC(F)(F)c1noc(c1-c1oc2c(c1)cccc2)-c1ccc(OC)cc1O
InChI:   InChI=1/C19H12F3NO4/c1-25-11-6-7-12(13(24)9-11)17-16(18(23-27-17)19(20,21)22)15-8-10-4-2-3-5-14(10)26-15/h2-9,24H,1H3

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Potential Energy
Epot(MMFF94)=117.892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.302 g/mol  logS: -7.16482  SlogP: 5.7993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751813  Sterimol/B1: 2.98498  Sterimol/B2: 3.41638  Sterimol/B3: 3.95267
  Sterimol/B4: 9.22639  Sterimol/L: 12.6427 
 
 Surface and Volume Properties
  Accessible surface: 569.745  Positive charged surface: 287.386  Negative charged surface: 278.835  Volume: 306.375
  Hydrophobic surface: 389.858  Hydrophilic surface: 179.887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.