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PUBCHEM-ZINC06428373

 MMsINC code: MMs03726739
Type: Neutral
Formula: C16H14ClFN2O3S
SMILES:   Clc1ccc(OCC(=O)NNC(=O)CSc2ccccc2F)cc1
InChI:   InChI=1/C16H14ClFN2O3S/c17-11-5-7-12(8-6-11)23-9-15(21)19-20-16(22)10-24-14-4-2-1-3-13(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=98.1761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.816 g/mol  logS: -5.73733  SlogP: 2.7976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00249859  Sterimol/B1: 2.37539  Sterimol/B2: 2.37566  Sterimol/B3: 3.27046
  Sterimol/B4: 4.91157  Sterimol/L: 22.4732 
 
 Surface and Volume Properties
  Accessible surface: 624.061  Positive charged surface: 291.682  Negative charged surface: 332.379  Volume: 312.5
  Hydrophobic surface: 471.935  Hydrophilic surface: 152.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.