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PUBCHEM-ZINC06933773

 MMsINC code: MMs03906921
Type: Neutral
Formula: C13H24N2O6S2
SMILES:   S(=O)(=O)(CCCNC(=O)CCC(=O)NC1CCS(=O)(=O)C1)CC
InChI:   InChI=1/C13H24N2O6S2/c1-2-22(18,19)8-3-7-14-12(16)4-5-13(17)15-11-6-9-23(20,21)10-11/h11H,2-10H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=7.94138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.475 g/mol  logS: -0.80145  SlogP: -0.9891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0186318  Sterimol/B1: 3.42714  Sterimol/B2: 3.5614  Sterimol/B3: 3.73878
  Sterimol/B4: 3.79598  Sterimol/L: 22.3645 
 
 Surface and Volume Properties
  Accessible surface: 640.236  Positive charged surface: 402.013  Negative charged surface: 238.224  Volume: 317.5
  Hydrophobic surface: 393.602  Hydrophilic surface: 246.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.