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PUBCHEM-ZINC00746262

 MMsINC code: MMs02736565
Type: Neutral
Formula: C19H18ClFN2O2S
SMILES:   Clc1ccc(cc1)C(=O)N1C(CSC1CC)C(=O)Nc1ccccc1F
InChI:   InChI=1/C19H18ClFN2O2S/c1-2-17-23(19(25)12-7-9-13(20)10-8-12)16(11-26-17)18(24)22-15-6-4-3-5-14(15)21/h3-10,16-17H,2,11H2,1H3,(H,22,24)/t16-,17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=235.955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.882 g/mol  logS: -6.00115  SlogP: 4.4115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0735758  Sterimol/B1: 3.45427  Sterimol/B2: 3.77818  Sterimol/B3: 4.25139
  Sterimol/B4: 7.93538  Sterimol/L: 16.5451 
 
 Surface and Volume Properties
  Accessible surface: 600.315  Positive charged surface: 295.228  Negative charged surface: 305.087  Volume: 339
  Hydrophobic surface: 501.834  Hydrophilic surface: 98.481
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.