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ENAMINE-ZINC06049409

 MMsINC code: MMs01651168
Type: Neutral
Formula: C15H18N2OS2
SMILES:   S1CCN=C1SCC(=O)NC1CCCc2c1cccc2
InChI:   InChI=1/C15H18N2OS2/c18-14(10-20-15-16-8-9-19-15)17-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,13H,3,5,7-10H2,(H,17,18)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=51.085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.454 g/mol  logS: -5.10251  SlogP: 3.11167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435927  Sterimol/B1: 2.45388  Sterimol/B2: 3.09557  Sterimol/B3: 4.06754
  Sterimol/B4: 7.39849  Sterimol/L: 16.4841 
 
 Surface and Volume Properties
  Accessible surface: 544.534  Positive charged surface: 345.291  Negative charged surface: 199.242  Volume: 284.75
  Hydrophobic surface: 411.811  Hydrophilic surface: 132.723
 
 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.