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PUBCHEM-ZINC02882887

 MMsINC code: MMs02953038
Type: Neutral
Formula: C19H17ClFNO5S
SMILES:   Clc1cccc(F)c1CSCC(=O)Nc1cc(ccc1C(OC)=O)C(OC)=O
InChI:   InChI=1/C19H17ClFNO5S/c1-26-18(24)11-6-7-12(19(25)27-2)16(8-11)22-17(23)10-28-9-13-14(20)4-3-5-15(13)21/h3-8H,9-10H2,1-2H3,(H,22,23)

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Potential Energy
Epot(MMFF94)=102.938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.864 g/mol  logS: -6.13948  SlogP: 4.1906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0415365  Sterimol/B1: 1.969  Sterimol/B2: 3.83177  Sterimol/B3: 3.96596
  Sterimol/B4: 11.8932  Sterimol/L: 17.8955 
 
 Surface and Volume Properties
  Accessible surface: 681.11  Positive charged surface: 418.434  Negative charged surface: 262.676  Volume: 363.5
  Hydrophobic surface: 547.702  Hydrophilic surface: 133.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.