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NANOSIN-ZINC00945125

 MMsINC code: MMs02193210
Type: Neutral
Formula: C24H20N2O4S2
SMILES:   s1cccc1C(=O)Nc1ccc(cc1OC)-c1cc(OC)c(NC(=O)c2sccc2)cc1
InChI:   InChI=1/C24H20N2O4S2/c1-29-19-13-15(7-9-17(19)25-23(27)21-5-3-11-31-21)16-8-10-18(20(14-16)30-2)26-24(28)22-6-4-12-32-22/h3-14H,1-2H3,(H,25,27)(H,26,28)

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Potential Energy
Epot(MMFF94)=137.802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.566 g/mol  logS: -7.46534  SlogP: 5.9984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0106016  Sterimol/B1: 2.40198  Sterimol/B2: 2.41312  Sterimol/B3: 3.23696
  Sterimol/B4: 10.0079  Sterimol/L: 23.9067 
 
 Surface and Volume Properties
  Accessible surface: 753.678  Positive charged surface: 399.055  Negative charged surface: 341.545  Volume: 416.5
  Hydrophobic surface: 667.85  Hydrophilic surface: 85.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.