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ASINEX-ZINC03885364

 MMsINC code: MMs00291888
Type: Neutral
Formula: C9H14N2O2S
SMILES:   S(=O)(=O)(N(C)C)c1cc(N)ccc1C
InChI:   InChI=1/C9H14N2O2S/c1-7-4-5-8(10)6-9(7)14(12,13)11(2)3/h4-6H,10H2,1-3H3

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Potential Energy
Epot(MMFF94)=43.6518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.289 g/mol  logS: -1.17979  SlogP: 0.82752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125428  Sterimol/B1: 2.53201  Sterimol/B2: 3.56841  Sterimol/B3: 3.81705
  Sterimol/B4: 6.20024  Sterimol/L: 11.6519 
 
 Surface and Volume Properties
  Accessible surface: 390.696  Positive charged surface: 262.668  Negative charged surface: 128.028  Volume: 195.875
  Hydrophobic surface: 275.606  Hydrophilic surface: 115.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.