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PUBCHEM-ZINC05760399

 MMsINC code: MMs03373822
Type: Neutral
Formula: C10H13ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)NC(=O)NC(C)C)cc1
InChI:   InChI=1/C10H13ClN2O3S/c1-7(2)12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H2,12,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-34.0121 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.744 g/mol  logS: -3.03999  SlogP: 1.7363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113109  Sterimol/B1: 3.36452  Sterimol/B2: 3.92173  Sterimol/B3: 4.86782
  Sterimol/B4: 5.1101  Sterimol/L: 13.4929 
 
 Surface and Volume Properties
  Accessible surface: 470.267  Positive charged surface: 232.853  Negative charged surface: 237.413  Volume: 232.875
  Hydrophobic surface: 311.373  Hydrophilic surface: 158.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.