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PUBCHEM-ZINC03631640

 MMsINC code: MMs03027752
Type: Neutral
Formula: C7H17NO4S4
SMILES:   S(SCC(N(C)C)CSS(=O)(=O)C)(=O)(=O)C
InChI:   InChI=1/C7H17NO4S4/c1-8(2)7(5-13-15(3,9)10)6-14-16(4,11)12/h7H,5-6H2,1-4H3

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Potential Energy
Epot(MMFF94)=85.0947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.48 g/mol  logS: -1.91837  SlogP: 0.3022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.403915  Sterimol/B1: 2.19776  Sterimol/B2: 3.2706  Sterimol/B3: 5.61716
  Sterimol/B4: 6.62863  Sterimol/L: 11.0635 
 
 Surface and Volume Properties
  Accessible surface: 439.175  Positive charged surface: 243.336  Negative charged surface: 195.839  Volume: 243.625
  Hydrophobic surface: 267.621  Hydrophilic surface: 171.554
 
 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


MMs03027753
PUBCHEM-ZINC03631640