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ENAMINE-ZINC01715525

 MMsINC code: MMs01243599
Type: Neutral
Formula: C10H14N2O2S
SMILES:   S(=O)(=O)(NNC(CC)=C)c1ccccc1
InChI:   InChI=1/C10H14N2O2S/c1-3-9(2)11-12-15(13,14)10-7-5-4-6-8-10/h4-8,11-12H,2-3H2,1H3

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Potential Energy
Epot(MMFF94)=55.4535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.3 g/mol  logS: -1.9737  SlogP: 1.3932  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.108924  Sterimol/B1: 2.3598  Sterimol/B2: 2.42251  Sterimol/B3: 4.65795
  Sterimol/B4: 6.46372  Sterimol/L: 11.9616 
 
 Surface and Volume Properties
  Accessible surface: 438.443  Positive charged surface: 234.604  Negative charged surface: 203.839  Volume: 212
  Hydrophobic surface: 299.907  Hydrophilic surface: 138.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.