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PUBCHEM-ZINC03095742

 MMsINC code: MMs02992860
Type: Neutral
Formula: C18H15NO5S2
SMILES:   S(=O)(=O)(c1cc(NS(=O)(=O)c2ccccc2)ccc1O)c1ccccc1
InChI:   InChI=1/C18H15NO5S2/c20-17-12-11-14(19-26(23,24)16-9-5-2-6-10-16)13-18(17)25(21,22)15-7-3-1-4-8-15/h1-13,19-20H

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Potential Energy
Epot(MMFF94)=68.2649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.452 g/mol  logS: -4.64932  SlogP: 3.0258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133564  Sterimol/B1: 4.12645  Sterimol/B2: 4.25756  Sterimol/B3: 4.51213
  Sterimol/B4: 4.78457  Sterimol/L: 15.8435 
 
 Surface and Volume Properties
  Accessible surface: 578.842  Positive charged surface: 272.503  Negative charged surface: 306.339  Volume: 328.875
  Hydrophobic surface: 416.844  Hydrophilic surface: 161.998
 
 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.