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ASINEX-ZINC02355043

 MMsINC code: MMs00270002
Type: Neutral
Formula: C19H13ClF3NO3
SMILES:   Clc1ccccc1-c1noc(C)c1C(OC(C(F)(F)F)c1ccccc1)=O
InChI:   InChI=1/C19H13ClF3NO3/c1-11-15(16(24-27-11)13-9-5-6-10-14(13)20)18(25)26-17(19(21,22)23)12-7-3-2-4-8-12/h2-10,17H,1H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=99.4176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.764 g/mol  logS: -6.70671  SlogP: 6.27922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169783  Sterimol/B1: 2.48352  Sterimol/B2: 3.53155  Sterimol/B3: 5.23157
  Sterimol/B4: 9.00568  Sterimol/L: 14.2035 
 
 Surface and Volume Properties
  Accessible surface: 591.381  Positive charged surface: 245.166  Negative charged surface: 346.214  Volume: 327.75
  Hydrophobic surface: 484.663  Hydrophilic surface: 106.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.