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CHEMDIV-ZINC02940731

 MMsINC code: MMs00895349
Type: Neutral
Formula: C16H15ClFNO4S
SMILES:   Clc1cc(F)ccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1
InChI:   InChI=1/C16H15ClFNO4S/c1-23-12-3-5-13(6-4-12)24(21,22)9-8-16(20)19-15-7-2-11(18)10-14(15)17/h2-7,10H,8-9H2,1H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=69.1698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.816 g/mol  logS: -4.48357  SlogP: 3.2902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425705  Sterimol/B1: 2.95884  Sterimol/B2: 3.56043  Sterimol/B3: 4.19047
  Sterimol/B4: 6.6281  Sterimol/L: 18.6673 
 
 Surface and Volume Properties
  Accessible surface: 594.304  Positive charged surface: 301.752  Negative charged surface: 292.552  Volume: 308.625
  Hydrophobic surface: 492.853  Hydrophilic surface: 101.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.