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CHEMDIV-ZINC06800803

 MMsINC code: MMs01029297
Type: Neutral
Formula: C17H18N2O3S
SMILES:   S(=O)(=O)(Nc1noc2c1cccc2)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C17H18N2O3S/c1-17(2,3)12-8-10-13(11-9-12)23(20,21)19-16-14-6-4-5-7-15(14)22-18-16/h4-11H,1-3H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=47.5706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.408 g/mol  logS: -5.87059  SlogP: 3.9261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106276  Sterimol/B1: 3.55948  Sterimol/B2: 4.32887  Sterimol/B3: 4.65003
  Sterimol/B4: 5.61908  Sterimol/L: 15.5115 
 
 Surface and Volume Properties
  Accessible surface: 556.045  Positive charged surface: 292.62  Negative charged surface: 257.941  Volume: 304.25
  Hydrophobic surface: 407.485  Hydrophilic surface: 148.56
 
 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.