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ENAMINE-ZINC05218297

 MMsINC code: MMs01600971
Type: Neutral
Formula: C14H16N2OS
SMILES:   S(=O)(Nc1ccccc1)(=NC)c1ccc(cc1)C
InChI:   InChI=1/C14H16N2OS/c1-12-8-10-14(11-9-12)18(17,15-2)16-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,15,16,17)/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=56.4838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.361 g/mol  logS: -3.26142  SlogP: 3.58392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0952332  Sterimol/B1: 2.60771  Sterimol/B2: 3.04265  Sterimol/B3: 4.52159
  Sterimol/B4: 5.19504  Sterimol/L: 15.5808 
 
 Surface and Volume Properties
  Accessible surface: 488.878  Positive charged surface: 293.328  Negative charged surface: 195.55  Volume: 253.875
  Hydrophobic surface: 419.993  Hydrophilic surface: 68.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.