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CHEMBLOCK-ZINC04753399

 MMsINC code: MMs00577118
Type: Neutral
Formula: C18H18N2OS2
SMILES:   s1c2cc(ccc2nc1SCC(=O)Nc1ccccc1CC)C
InChI:   InChI=1/C18H18N2OS2/c1-3-13-6-4-5-7-14(13)19-17(21)11-22-18-20-15-9-8-12(2)10-16(15)23-18/h4-10H,3,11H2,1-2H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=70.1156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.487 g/mol  logS: -6.83917  SlogP: 4.89789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0131427  Sterimol/B1: 2.21313  Sterimol/B2: 2.46379  Sterimol/B3: 3.44125
  Sterimol/B4: 7.53926  Sterimol/L: 19.405 
 
 Surface and Volume Properties
  Accessible surface: 609.187  Positive charged surface: 337.385  Negative charged surface: 271.802  Volume: 322.75
  Hydrophobic surface: 501.306  Hydrophilic surface: 107.881
 
 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.