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CHEMDIV-ZINC06887742

 MMsINC code: MMs01054079
Type: Neutral
Formula: C18H18N2O4S
SMILES:   S(=O)(=O)(Nc1ccccc1)c1cc(ccc1OC)-c1onc(C)c1C
InChI:   InChI=1/C18H18N2O4S/c1-12-13(2)19-24-18(12)14-9-10-16(23-3)17(11-14)25(21,22)20-15-7-5-4-6-8-15/h4-11,20H,1-3H3

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Potential Energy
Epot(MMFF94)=76.431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.418 g/mol  logS: -4.61249  SlogP: 3.76784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197947  Sterimol/B1: 2.837  Sterimol/B2: 5.73577  Sterimol/B3: 6.15805
  Sterimol/B4: 6.30382  Sterimol/L: 13.9141 
 
 Surface and Volume Properties
  Accessible surface: 581.134  Positive charged surface: 342.53  Negative charged surface: 238.604  Volume: 322.125
  Hydrophobic surface: 478.187  Hydrophilic surface: 102.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.