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ENAMINE-ZINC05511840

MMsINC code: MMs01618729

Type: Neutral
Formula: C16H16Cl2N2O3S
SMILES:   Clc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cc(Cl)ccc1C
InChI:   InChI=1/C16H16Cl2N2O3S/c1-10-4-5-11(17)8-15(10)19-16(21)13-9-12(6-7-14(13)18)24(22,23)20(2)3/h4-9H,1-3H3,(H,19,21)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=72.6436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.287 g/mol  logS: -4.89748  SlogP: 3.80442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0806104  Sterimol/B1: 2.28834  Sterimol/B2: 2.54986  Sterimol/B3: 5.48114
  Sterimol/B4: 8.40189  Sterimol/L: 15.8422 
 
 Surface and Volume Properties
  Accessible surface: 596.943  Positive charged surface: 299.214  Negative charged surface: 297.729  Volume: 325.375
  Hydrophobic surface: 519.804  Hydrophilic surface: 77.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.