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NCID-ZINC05812559

 MMsINC code: MMs02501653
Type: Neutral
Formula: C16H26O4S6
SMILES:   S(O)(=O)CCCCSSCc1ccccc1CSSCCCCS(O)=O
InChI:   InChI=1/C16H26O4S6/c17-25(18)11-5-3-9-21-23-13-15-7-1-2-8-16(15)14-24-22-10-4-6-12-26(19)20/h1-2,7-8H,3-6,9-14H2,(H,17,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=50.1876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.776 g/mol  logS: -6.6705  SlogP: 4.8546  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0249591  Sterimol/B1: 2.46864  Sterimol/B2: 3.25717  Sterimol/B3: 3.77642
  Sterimol/B4: 10.8898  Sterimol/L: 21.347 
 
 Surface and Volume Properties
  Accessible surface: 752.822  Positive charged surface: 459.467  Negative charged surface: 293.355  Volume: 409
  Hydrophobic surface: 401.296  Hydrophilic surface: 351.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02501654
NCID-ZINC05812559