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NCID-ZINC01674994

 MMsINC code: MMs02310376
Type: Neutral
Formula: C10H20N2O4S2
SMILES:   S(CCC(N)C(O)=O)CCSCCC(N)C(O)=O
InChI:   InChI=1/C10H20N2O4S2/c11-7(9(13)14)1-3-17-5-6-18-4-2-8(12)10(15)16/h7-8H,1-6,11-12H2,(H,13,14)(H,15,16)/t7-,8+

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Potential Energy
Epot(MMFF94)=48.6101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.412 g/mol  logS: -1.35224  SlogP: 0.0568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198281  Sterimol/B1: 2.62433  Sterimol/B2: 3.23354  Sterimol/B3: 3.28665
  Sterimol/B4: 4.0873  Sterimol/L: 19.4826 
 
 Surface and Volume Properties
  Accessible surface: 566.397  Positive charged surface: 376.265  Negative charged surface: 190.132  Volume: 267.375
  Hydrophobic surface: 215.418  Hydrophilic surface: 350.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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.