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ENAMINE-ZINC03066127

 MMsINC code: MMs01289446
Type: Neutral
Formula: C24H21NO2S
SMILES:   S(=O)(=O)(NC(C)c1ccc(cc1)-c1ccccc1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C24H21NO2S/c1-18(19-11-13-22(14-12-19)20-7-3-2-4-8-20)25-28(26,27)24-16-15-21-9-5-6-10-23(21)17-24/h2-18,25H,1H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=76.2379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.503 g/mol  logS: -7.62223  SlogP: 5.6418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0401302  Sterimol/B1: 2.23764  Sterimol/B2: 4.61143  Sterimol/B3: 4.85388
  Sterimol/B4: 5.73449  Sterimol/L: 20.354 
 
 Surface and Volume Properties
  Accessible surface: 647.935  Positive charged surface: 301.866  Negative charged surface: 328.458  Volume: 373.25
  Hydrophobic surface: 557.003  Hydrophilic surface: 90.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.