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CHEMBRIDGE-ZINC02171952

 MMsINC code: MMs00703388
Type: Neutral
Formula: C24H24N2O2S
SMILES:   S(CCNC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O2S/c27-23(20-12-6-2-7-13-20)26-22(18-19-10-4-1-5-11-19)24(28)25-16-17-29-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,28)(H,26,27)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.534 g/mol  logS: -6.34869  SlogP: 3.93617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229892  Sterimol/B1: 2.51984  Sterimol/B2: 3.13918  Sterimol/B3: 3.45991
  Sterimol/B4: 9.27033  Sterimol/L: 20.9659 
 
 Surface and Volume Properties
  Accessible surface: 709.225  Positive charged surface: 401.406  Negative charged surface: 307.818  Volume: 399.5
  Hydrophobic surface: 615.507  Hydrophilic surface: 93.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.