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CHEMDIV-ZINC05084995

 MMsINC code: MMs00988707
Type: Neutral
Formula: C17H15ClN2O3S
SMILES:   Clc1cccc(NC(=O)Cn2c3sccc3cc2C(OC)=O)c1C
InChI:   InChI=1/C17H15ClN2O3S/c1-10-12(18)4-3-5-13(10)19-15(21)9-20-14(17(22)23-2)8-11-6-7-24-16(11)20/h3-8H,9H2,1-2H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=90.0683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.837 g/mol  logS: -5.41288  SlogP: 4.35632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158854  Sterimol/B1: 2.04036  Sterimol/B2: 5.20309  Sterimol/B3: 6.66965
  Sterimol/B4: 6.96124  Sterimol/L: 15.4128 
 
 Surface and Volume Properties
  Accessible surface: 586.56  Positive charged surface: 299.96  Negative charged surface: 280.878  Volume: 318.875
  Hydrophobic surface: 525.133  Hydrophilic surface: 61.427
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.