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NIH-ZINC01078362

 MMsINC code: MMs02522814
Type: Neutral
Formula: C15H21ClN2O4S
SMILES:   Clc1cc(S(=O)(=O)N(CC(=O)N)C2CCCCC2)ccc1OC
InChI:   InChI=1/C15H21ClN2O4S/c1-22-14-8-7-12(9-13(14)16)23(20,21)18(10-15(17)19)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H2,17,19)

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Potential Energy
Epot(MMFF94)=59.9326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.862 g/mol  logS: -3.83281  SlogP: 2.1573  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108317  Sterimol/B1: 2.93034  Sterimol/B2: 3.85748  Sterimol/B3: 4.94045
  Sterimol/B4: 6.54766  Sterimol/L: 14.6179 
 
 Surface and Volume Properties
  Accessible surface: 562.759  Positive charged surface: 352.306  Negative charged surface: 210.453  Volume: 312.25
  Hydrophobic surface: 415.194  Hydrophilic surface: 147.565
 
 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.