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PUBCHEM-ZINC02713510

 MMsINC code: MMs02911734
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-/m0/s1

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Potential Energy
Epot(MMFF94)=-6.12198 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: 0.10481  Sterimol/B1: 3.39093  Sterimol/B2: 4.5934  Sterimol/B3: 5.29184
  Sterimol/B4: 6.6127  Sterimol/L: 14.0872 
 
 Surface and Volume Properties
  Accessible surface: 566.01  Positive charged surface: 358.724  Negative charged surface: 207.286  Volume: 312.625
  Hydrophobic surface: 471.54  Hydrophilic surface: 94.47
 
 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.