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CHEMDIV-ZINC07005102

 MMsINC code: MMs01070611
Type: Neutral
Formula: C14H18N2O4S
SMILES:   S(=O)(=O)(NC(C)C)c1cc(ccc1OC)-c1onc(c1)C
InChI:   InChI=1/C14H18N2O4S/c1-9(2)16-21(17,18)14-8-11(5-6-12(14)19-4)13-7-10(3)15-20-13/h5-9,16H,1-4H3

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Potential Energy
Epot(MMFF94)=64.2337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.374 g/mol  logS: -3.28258  SlogP: 2.34532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653734  Sterimol/B1: 3.19254  Sterimol/B2: 4.49225  Sterimol/B3: 4.81732
  Sterimol/B4: 4.95072  Sterimol/L: 15.9986 
 
 Surface and Volume Properties
  Accessible surface: 521.794  Positive charged surface: 303.934  Negative charged surface: 217.859  Volume: 277.25
  Hydrophobic surface: 377.491  Hydrophilic surface: 144.303
 
 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.