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CHEMDIV-ZINC04903946

 MMsINC code: MMs00962670
Type: Neutral
Formula: C15H18N2O4S2
SMILES:   s1cccc1S(=O)(=O)N(CC(=O)Nc1ccccc1OCC)C
InChI:   InChI=1/C15H18N2O4S2/c1-3-21-13-8-5-4-7-12(13)16-14(18)11-17(2)23(19,20)15-9-6-10-22-15/h4-10H,3,11H2,1-2H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=79.0538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.451 g/mol  logS: -3.63747  SlogP: 2.406  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178818  Sterimol/B1: 2.30718  Sterimol/B2: 3.02097  Sterimol/B3: 5.46996
  Sterimol/B4: 6.91876  Sterimol/L: 14.1809 
 
 Surface and Volume Properties
  Accessible surface: 579.258  Positive charged surface: 352.064  Negative charged surface: 227.194  Volume: 312.375
  Hydrophobic surface: 467.684  Hydrophilic surface: 111.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.