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CHEMDIV-ZINC07005168

 MMsINC code: MMs01070642
Type: Neutral
Formula: C18H18N2O4S
SMILES:   S(=O)(=O)(NCc1ccccc1)c1cc(ccc1OC)-c1onc(c1)C
InChI:   InChI=1/C18H18N2O4S/c1-13-10-17(24-20-13)15-8-9-16(23-2)18(11-15)25(21,22)19-12-14-6-4-3-5-7-14/h3-11,19H,12H2,1-2H3

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Potential Energy
Epot(MMFF94)=60.0047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.418 g/mol  logS: -4.39606  SlogP: 3.40352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821847  Sterimol/B1: 2.67213  Sterimol/B2: 3.57283  Sterimol/B3: 5.45096
  Sterimol/B4: 6.70927  Sterimol/L: 18.3795 
 
 Surface and Volume Properties
  Accessible surface: 608.951  Positive charged surface: 331.896  Negative charged surface: 277.054  Volume: 323.625
  Hydrophobic surface: 500.373  Hydrophilic surface: 108.578
 
 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.