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IBS-ZINC05346267

 MMsINC code: MMs01941889
Type: Neutral
Formula: C14H12N2O4S4
SMILES:   S1\C(=C/c2sccc2)\C(=O)N(CC(=O)NC2C=CS(=O)(=O)C2)C1=S
InChI:   InChI=1/C14H12N2O4S4/c17-12(15-9-3-5-24(19,20)8-9)7-16-13(18)11(23-14(16)21)6-10-2-1-4-22-10/h1-6,9H,7-8H2,(H,15,17)/b11-6-/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=59.6161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.524 g/mol  logS: -4.74977  SlogP: 1.3762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0424681  Sterimol/B1: 2.85234  Sterimol/B2: 3.70284  Sterimol/B3: 3.97122
  Sterimol/B4: 6.88573  Sterimol/L: 18.7239 
 
 Surface and Volume Properties
  Accessible surface: 586.97  Positive charged surface: 234.693  Negative charged surface: 352.277  Volume: 314.375
  Hydrophobic surface: 338.136  Hydrophilic surface: 248.834
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.