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PUBCHEM-ZINC03107196

 MMsINC code: MMs02995025
Type: Neutral
Formula: C14H24N4O6S
SMILES:   S1(=O)(=O)CC(NC(=O)N2CCOCC2)C(NC(=O)N2CCOCC2)C1
InChI:   InChI=1/C14H24N4O6S/c19-13(17-1-5-23-6-2-17)15-11-9-25(21,22)10-12(11)16-14(20)18-3-7-24-8-4-18/h11-12H,1-10H2,(H,15,19)(H,16,20)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=35.6727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.434 g/mol  logS: -0.24911  SlogP: -1.7644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128491  Sterimol/B1: 2.71076  Sterimol/B2: 3.72004  Sterimol/B3: 5.39002
  Sterimol/B4: 7.80126  Sterimol/L: 15.1187 
 
 Surface and Volume Properties
  Accessible surface: 608.36  Positive charged surface: 456.691  Negative charged surface: 151.669  Volume: 319.5
  Hydrophobic surface: 445.057  Hydrophilic surface: 163.303
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.