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PUBCHEM-ZINC01862363

 MMsINC code: MMs02828554
Type: Neutral
Formula: C16H9Cl2F3N2S
SMILES:   Clc1cccc(Cl)c1C1SCc2n1c1cc(ccc1n2)C(F)(F)F
InChI:   InChI=1/C16H9Cl2F3N2S/c17-9-2-1-3-10(18)14(9)15-23-12-6-8(16(19,20)21)4-5-11(12)22-13(23)7-24-15/h1-6,15H,7H2/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=92.9106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.228 g/mol  logS: -6.81845  SlogP: 6.829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192716  Sterimol/B1: 2.40397  Sterimol/B2: 3.28643  Sterimol/B3: 5.58851
  Sterimol/B4: 8.32054  Sterimol/L: 11.0988 
 
 Surface and Volume Properties
  Accessible surface: 510.606  Positive charged surface: 184.38  Negative charged surface: 326.226  Volume: 295.25
  Hydrophobic surface: 341.74  Hydrophilic surface: 168.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.