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CHEMDIV-ZINC05008849

 MMsINC code: MMs00978562
Type: Neutral
Formula: C24H26N2O3S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)CC(=O)NC(C)c1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C24H26N2O3S/c1-19-13-15-23(16-14-19)30(28,29)26(17-21-9-5-3-6-10-21)18-24(27)25-20(2)22-11-7-4-8-12-22/h3-16,20H,17-18H2,1-2H3,(H,25,27)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.3777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.549 g/mol  logS: -5.80794  SlogP: 4.42522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0929323  Sterimol/B1: 2.2807  Sterimol/B2: 3.06716  Sterimol/B3: 5.08404
  Sterimol/B4: 13.0762  Sterimol/L: 16.611 
 
 Surface and Volume Properties
  Accessible surface: 700.215  Positive charged surface: 389.138  Negative charged surface: 311.076  Volume: 410.5
  Hydrophobic surface: 608.081  Hydrophilic surface: 92.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.