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CHEMDIV-ZINC02467604

 MMsINC code: MMs00878683
Type: Neutral
Formula: C15H18N2O5S2
SMILES:   s1cccc1S(=O)(=O)N(CC(=O)Nc1cc(OC)c(OC)cc1)C
InChI:   InChI=1/C15H18N2O5S2/c1-17(24(19,20)15-5-4-8-23-15)10-14(18)16-11-6-7-12(21-2)13(9-11)22-3/h4-9H,10H2,1-3H3,(H,16,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.8891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.45 g/mol  logS: -3.36064  SlogP: 2.0245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0648432  Sterimol/B1: 1.969  Sterimol/B2: 3.97169  Sterimol/B3: 5.5889
  Sterimol/B4: 6.06175  Sterimol/L: 18.4952 
 
 Surface and Volume Properties
  Accessible surface: 606.415  Positive charged surface: 391.918  Negative charged surface: 214.497  Volume: 318.25
  Hydrophobic surface: 498.455  Hydrophilic surface: 107.96
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.