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CHEMBRIDGE-ZINC01055690

 MMsINC code: MMs00654652
Type: Neutral
Formula: C20H20N2O2S2
SMILES:   s1c(C)c(-c2ccccc2)c(C(=O)N)c1NC(=O)c1csc(C)c1CC
InChI:   InChI=1/C20H20N2O2S2/c1-4-14-11(2)25-10-15(14)19(24)22-20-17(18(21)23)16(12(3)26-20)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H2,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=77.6472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.524 g/mol  logS: -6.9546  SlogP: 5.00701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0427412  Sterimol/B1: 2.04666  Sterimol/B2: 3.50264  Sterimol/B3: 4.6774
  Sterimol/B4: 6.6714  Sterimol/L: 18.4248 
 
 Surface and Volume Properties
  Accessible surface: 632.119  Positive charged surface: 339.771  Negative charged surface: 292.348  Volume: 356.5
  Hydrophobic surface: 507.395  Hydrophilic surface: 124.724
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.