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PUBCHEM-ZINC01154555

 MMsINC code: MMs02780321
Type: Neutral
Formula: C18H14Cl2N4O4S
SMILES:   Clc1cc(ccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2)cc1
InChI:   InChI=1/C18H14Cl2N4O4S/c1-28-17-9-16(21-10-22-17)24-29(26,27)13-5-3-12(4-6-13)23-18(25)11-2-7-14(19)15(20)8-11/h2-10H,1H3,(H,23,25)(H,21,22,24)

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Potential Energy
Epot(MMFF94)=44.0902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 453.306 g/mol  logS: -6.06105  SlogP: 3.8451  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0462924  Sterimol/B1: 2.55845  Sterimol/B2: 2.86365  Sterimol/B3: 4.51436
  Sterimol/B4: 9.15481  Sterimol/L: 19.5225 
 
 Surface and Volume Properties
  Accessible surface: 670.407  Positive charged surface: 335.687  Negative charged surface: 334.721  Volume: 363.5
  Hydrophobic surface: 489.148  Hydrophilic surface: 181.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.