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NCID-ZINC04748121

 MMsINC code: MMs02400160
Type: Neutral
Formula: C25H21NO2S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H21NO2S/c26-29(27,28)24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,(H2,26,27,28)

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Potential Energy
Epot(MMFF94)=149.207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.514 g/mol  logS: -7.01279  SlogP: 4.7167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.486723  Sterimol/B1: 2.34418  Sterimol/B2: 2.93881  Sterimol/B3: 8.97811
  Sterimol/B4: 9.30333  Sterimol/L: 13.3649 
 
 Surface and Volume Properties
  Accessible surface: 627.593  Positive charged surface: 336.116  Negative charged surface: 291.477  Volume: 375.125
  Hydrophobic surface: 496.608  Hydrophilic surface: 130.985
 
 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


MMs02400161
NCID-ZINC04748121