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PUBCHEM-ZINC00990962

MMsINC code: MMs02751215

Type: Neutral
Formula: C15H18N2O5S2
SMILES:   s1cc(S(=O)(=O)N(CCO)CCO)cc1C(=O)Nc1ccccc1
InChI:   InChI=1/C15H18N2O5S2/c18-8-6-17(7-9-19)24(21,22)13-10-14(23-11-13)15(20)16-12-4-2-1-3-5-12/h1-5,10-11,18-19H,6-9H2,(H,16,20)

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Potential Energy
Epot(MMFF94)=64.4484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.45 g/mol  logS: -2.67002  SlogP: 0.9757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0684553  Sterimol/B1: 3.89453  Sterimol/B2: 3.94854  Sterimol/B3: 4.27503
  Sterimol/B4: 5.26607  Sterimol/L: 18.2681 
 
 Surface and Volume Properties
  Accessible surface: 581.733  Positive charged surface: 339.687  Negative charged surface: 242.046  Volume: 319.25
  Hydrophobic surface: 404.679  Hydrophilic surface: 177.054
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.