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IBS-ZINC05451687

 MMsINC code: MMs01948436
Type: Neutral
Formula: C17H11ClF3NO3
SMILES:   Clc1ccc(cc1)-c1c(onc1C(F)(F)F)-c1ccc(OC)cc1O
InChI:   InChI=1/C17H11ClF3NO3/c1-24-11-6-7-12(13(23)8-11)15-14(9-2-4-10(18)5-3-9)16(22-25-15)17(19,20)21/h2-8,23H,1H3

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Potential Energy
Epot(MMFF94)=122.833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.726 g/mol  logS: -6.48498  SlogP: 5.7065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0735351  Sterimol/B1: 3.26801  Sterimol/B2: 3.59605  Sterimol/B3: 5.85188
  Sterimol/B4: 6.64492  Sterimol/L: 14.0506 
 
 Surface and Volume Properties
  Accessible surface: 546.156  Positive charged surface: 249.206  Negative charged surface: 296.95  Volume: 293.5
  Hydrophobic surface: 375.753  Hydrophilic surface: 170.403
 
 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.