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ASINEX-ZINC00816563

 MMsINC code: MMs00179054
Type: Neutral
Formula: C12H26N4O5S2
SMILES:   S(=O)(=O)(N1CCN(S(=O)(=O)N(CC)CC)CC1)N1CCOCC1
InChI:   InChI=1/C12H26N4O5S2/c1-3-13(4-2)22(17,18)14-5-7-15(8-6-14)23(19,20)16-9-11-21-12-10-16/h3-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=-2.76711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.495 g/mol  logS: 0.0009  SlogP: -1.2324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0564645  Sterimol/B1: 2.48755  Sterimol/B2: 2.80769  Sterimol/B3: 5.08513
  Sterimol/B4: 6.04131  Sterimol/L: 16.4459 
 
 Surface and Volume Properties
  Accessible surface: 564.393  Positive charged surface: 417.807  Negative charged surface: 146.586  Volume: 317.5
  Hydrophobic surface: 411.743  Hydrophilic surface: 152.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.