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PUBCHEM-ZINC06890858

 MMsINC code: MMs03891601
Type: Neutral
Formula: C18H23NO3S
SMILES:   S(=O)(=O)(NC(CO)c1ccccc1)c1ccc(cc1)CCCC
InChI:   InChI=1/C18H23NO3S/c1-2-3-7-15-10-12-17(13-11-15)23(21,22)19-18(14-20)16-8-5-4-6-9-16/h4-6,8-13,18-20H,2-3,7,14H2,1H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=41.3444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.452 g/mol  logS: -4.8078  SlogP: 3.13657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0588852  Sterimol/B1: 3.54978  Sterimol/B2: 4.2938  Sterimol/B3: 4.57296
  Sterimol/B4: 5.06914  Sterimol/L: 19.5123 
 
 Surface and Volume Properties
  Accessible surface: 595.719  Positive charged surface: 366.27  Negative charged surface: 229.449  Volume: 323
  Hydrophobic surface: 459.02  Hydrophilic surface: 136.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.