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NCID-ZINC04769086

 MMsINC code: MMs02401810
Type: Neutral
Formula: C23H13Cl2NO2S2
SMILES:   Clc1cc(ccc1Cl)\C=C/1\SC(=S)N(C\1=O)C1c2c(Oc3c1cccc3)cccc2
InChI:   InChI=1/C23H13Cl2NO2S2/c24-16-10-9-13(11-17(16)25)12-20-22(27)26(23(29)30-20)21-14-5-1-3-7-18(14)28-19-8-4-2-6-15(19)21/h1-12,21H/b20-12-

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Potential Energy
Epot(MMFF94)=157.884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.4 g/mol  logS: -9.79128  SlogP: 7.1854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116511  Sterimol/B1: 2.4837  Sterimol/B2: 3.95649  Sterimol/B3: 5.28386
  Sterimol/B4: 9.6639  Sterimol/L: 16.4814 
 
 Surface and Volume Properties
  Accessible surface: 661.378  Positive charged surface: 258.008  Negative charged surface: 403.37  Volume: 390.5
  Hydrophobic surface: 569.024  Hydrophilic surface: 92.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.