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CHEMDIV-ZINC06820544

 MMsINC code: MMs01043713
Type: Neutral
Formula: C18H17ClN2O3S
SMILES:   Clc1cccc(NC(=O)Cn2c3cc(sc3cc2C(OC)=O)C)c1C
InChI:   InChI=1/C18H17ClN2O3S/c1-10-7-14-16(25-10)8-15(18(23)24-3)21(14)9-17(22)20-13-6-4-5-12(19)11(13)2/h4-8H,9H2,1-3H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=76.3887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.864 g/mol  logS: -4.93057  SlogP: 4.66474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113974  Sterimol/B1: 2.19749  Sterimol/B2: 3.31536  Sterimol/B3: 4.48955
  Sterimol/B4: 9.86472  Sterimol/L: 15.9625 
 
 Surface and Volume Properties
  Accessible surface: 610.993  Positive charged surface: 330.524  Negative charged surface: 280.469  Volume: 333.5
  Hydrophobic surface: 548.391  Hydrophilic surface: 62.602
 
 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.