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PUBCHEM-ZINC02713508

 MMsINC code: MMs02911733
Type: Neutral
Formula: C14H20ClN3O4S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2NC(=O)NCCOC)cc1
InChI:   InChI=1/C14H20ClN3O4S/c1-22-10-8-16-14(19)17-13-3-2-9-18(13)23(20,21)12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H2,16,17,19)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=-10.6275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.85 g/mol  logS: -2.62227  SlogP: 1.3962  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0662242  Sterimol/B1: 3.55883  Sterimol/B2: 4.48661  Sterimol/B3: 4.53229
  Sterimol/B4: 5.5378  Sterimol/L: 18.4985 
 
 Surface and Volume Properties
  Accessible surface: 601.62  Positive charged surface: 383.119  Negative charged surface: 218.5  Volume: 315.25
  Hydrophobic surface: 497.727  Hydrophilic surface: 103.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.