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PUBCHEM-ZINC02755047

 MMsINC code: MMs02917443
Type: Neutral
Formula: C20H20N2O2S2
SMILES:   s1c(NC(=O)c2csc(C)c2CC)c(cc1Cc1ccccc1)C(=O)N
InChI:   InChI=1/C20H20N2O2S2/c1-3-15-12(2)25-11-17(15)19(24)22-20-16(18(21)23)10-14(26-20)9-13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H2,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=65.7072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.524 g/mol  logS: -6.17068  SlogP: 4.62236  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0674039  Sterimol/B1: 2.25894  Sterimol/B2: 3.58982  Sterimol/B3: 5.50655
  Sterimol/B4: 8.43917  Sterimol/L: 17.5097 
 
 Surface and Volume Properties
  Accessible surface: 638.411  Positive charged surface: 353.114  Negative charged surface: 285.297  Volume: 357.875
  Hydrophobic surface: 505.578  Hydrophilic surface: 132.833
 
 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.