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CHEMDIV-ZINC05558414

 MMsINC code: MMs00996697
Type: Neutral
Formula: C17H20N2O4S2
SMILES:   s1cccc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1cc(OC)ccc1
InChI:   InChI=1/C17H20N2O4S2/c1-23-15-5-2-4-14(12-15)18-17(20)13-7-9-19(10-8-13)25(21,22)16-6-3-11-24-16/h2-6,11-13H,7-10H2,1H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=65.4944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.489 g/mol  logS: -3.61912  SlogP: 2.7961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379643  Sterimol/B1: 2.73027  Sterimol/B2: 3.05966  Sterimol/B3: 4.48998
  Sterimol/B4: 5.2713  Sterimol/L: 20.3538 
 
 Surface and Volume Properties
  Accessible surface: 615.385  Positive charged surface: 367.907  Negative charged surface: 247.478  Volume: 333.875
  Hydrophobic surface: 515.658  Hydrophilic surface: 99.727
 
 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.