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MAYBRIDGE-ZINC01044697

 MMsINC code: MMs02155674
Type: Neutral
Formula: C16H9Cl2FN2OS
SMILES:   Clc1cc(ccc1F)C(=O)Nc1scc(n1)-c1ccc(Cl)cc1
InChI:   InChI=1/C16H9Cl2FN2OS/c17-11-4-1-9(2-5-11)14-8-23-16(20-14)21-15(22)10-3-6-13(19)12(18)7-10/h1-8H,(H,20,21,22)

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Potential Energy
Epot(MMFF94)=66.1595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.231 g/mol  logS: -6.98498  SlogP: 5.5083  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.95454e-07  Sterimol/B1: 2.18383  Sterimol/B2: 2.18617  Sterimol/B3: 4.14959
  Sterimol/B4: 5.87447  Sterimol/L: 18.6614 
 
 Surface and Volume Properties
  Accessible surface: 568.293  Positive charged surface: 202.378  Negative charged surface: 365.915  Volume: 298.25
  Hydrophobic surface: 508.525  Hydrophilic surface: 59.768
 
 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.