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PUBCHEM-ZINC06030801

 MMsINC code: MMs03503310
Type: Neutral
Formula: C16H16Cl2N2O4S
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)NNS(=O)(=O)c1ccc(cc1)C)C
InChI:   InChI=1/C16H16Cl2N2O4S/c1-10-3-6-13(7-4-10)25(22,23)20-19-16(21)11(2)24-15-8-5-12(17)9-14(15)18/h3-9,11,20H,1-2H3,(H,19,21)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=111.284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.286 g/mol  logS: -5.90442  SlogP: 3.07882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0494008  Sterimol/B1: 2.32655  Sterimol/B2: 3.01255  Sterimol/B3: 3.98342
  Sterimol/B4: 7.92655  Sterimol/L: 17.9075 
 
 Surface and Volume Properties
  Accessible surface: 625.955  Positive charged surface: 262.193  Negative charged surface: 363.762  Volume: 333.625
  Hydrophobic surface: 478.506  Hydrophilic surface: 147.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.