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NCID-ZINC05105385

 MMsINC code: MMs02441700
Type: Neutral
Formula: C16H15NO3S2
SMILES:   S1CC\C(=N\OS(=O)(=O)c2ccc(cc2)C)\c2c1cccc2
InChI:   InChI=1/C16H15NO3S2/c1-12-6-8-13(9-7-12)22(18,19)20-17-15-10-11-21-16-5-3-2-4-14(15)16/h2-9H,10-11H2,1H3/b17-15-

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Potential Energy
Epot(MMFF94)=118.97 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.432 g/mol  logS: -5.49037  SlogP: 3.60042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128203  Sterimol/B1: 2.52751  Sterimol/B2: 4.89947  Sterimol/B3: 5.44794
  Sterimol/B4: 6.11745  Sterimol/L: 14.8547 
 
 Surface and Volume Properties
  Accessible surface: 546.931  Positive charged surface: 283.23  Negative charged surface: 263.701  Volume: 292
  Hydrophobic surface: 436.177  Hydrophilic surface: 110.754
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.