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ENAMINE-ZINC03209527

 MMsINC code: MMs01307130
Type: Neutral
Formula: C23H18N4O3S3
SMILES:   s1c2c(nc1C)ccc1nc(sc12)NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChI:   InChI=1/C23H18N4O3S3/c1-14-24-18-12-13-19-21(20(18)31-14)32-23(25-19)26-22(28)15-8-10-17(11-9-15)33(29,30)27(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,25,26,28)

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Potential Energy
Epot(MMFF94)=97.8498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 494.62 g/mol  logS: -7.05654  SlogP: 5.29182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0310205  Sterimol/B1: 3.10976  Sterimol/B2: 3.90072  Sterimol/B3: 4.87499
  Sterimol/B4: 5.567  Sterimol/L: 23.2266 
 
 Surface and Volume Properties
  Accessible surface: 747.919  Positive charged surface: 393.151  Negative charged surface: 354.768  Volume: 425.125
  Hydrophobic surface: 606.549  Hydrophilic surface: 141.37
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.