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PUBCHEM-ZINC03104477

 MMsINC code: MMs02994293
Type: Neutral
Formula: C17H15Cl2F3N2O2
SMILES:   Clc1cc(cnc1Oc1ccc(NC(=O)C(CCl)(C)C)cc1)C(F)(F)F
InChI:   InChI=1/C17H15Cl2F3N2O2/c1-16(2,9-18)15(25)24-11-3-5-12(6-4-11)26-14-13(19)7-10(8-23-14)17(20,21)22/h3-8H,9H2,1-2H3,(H,24,25)

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Potential Energy
Epot(MMFF94)=92.1761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.219 g/mol  logS: -5.26438  SlogP: 6.0611  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.054239  Sterimol/B1: 2.55314  Sterimol/B2: 2.70978  Sterimol/B3: 4.26649
  Sterimol/B4: 6.66473  Sterimol/L: 18.7473 
 
 Surface and Volume Properties
  Accessible surface: 619.442  Positive charged surface: 267.105  Negative charged surface: 352.337  Volume: 331.25
  Hydrophobic surface: 394.675  Hydrophilic surface: 224.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.