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CHEMBLOCK-ZINC06668425

 MMsINC code: MMs00582666
Type: Neutral
Formula: C18H18N2O5S
SMILES:   S(=O)(=O)(NCc1onc(c1)-c1ccc(OC)cc1)c1ccc(OC)cc1
InChI:   InChI=1/C18H18N2O5S/c1-23-14-5-3-13(4-6-14)18-11-16(25-20-18)12-19-26(21,22)17-9-7-15(24-2)8-10-17/h3-11,19H,12H2,1-2H3

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Potential Energy
Epot(MMFF94)=65.3243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.417 g/mol  logS: -4.28597  SlogP: 3.1037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0507909  Sterimol/B1: 2.71869  Sterimol/B2: 3.82042  Sterimol/B3: 3.82518
  Sterimol/B4: 7.58578  Sterimol/L: 18.9429 
 
 Surface and Volume Properties
  Accessible surface: 639.965  Positive charged surface: 382.124  Negative charged surface: 257.841  Volume: 332.5
  Hydrophobic surface: 498.953  Hydrophilic surface: 141.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.