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CHEMBRIDGE-ZINC01056268

 MMsINC code: MMs00654892
Type: Neutral
Formula: C16H9ClF3NOS
SMILES:   Clc1cc(C(F)(F)F)c(NC(=O)c2c3c(sc2)cccc3)cc1
InChI:   InChI=1/C16H9ClF3NOS/c17-9-5-6-13(12(7-9)16(18,19)20)21-15(22)11-8-23-14-4-2-1-3-10(11)14/h1-8H,(H,21,22)

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Potential Energy
Epot(MMFF94)=73.6732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.767 g/mol  logS: -6.64614  SlogP: 6.1373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239388  Sterimol/B1: 2.57138  Sterimol/B2: 3.03326  Sterimol/B3: 3.21934
  Sterimol/B4: 6.39645  Sterimol/L: 16.0409 
 
 Surface and Volume Properties
  Accessible surface: 521.356  Positive charged surface: 157.786  Negative charged surface: 358.034  Volume: 281.25
  Hydrophobic surface: 410.766  Hydrophilic surface: 110.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.