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NCID-ZINC04897074

 MMsINC code: MMs02414102
Type: Neutral
Formula: C10H14O4S3
SMILES:   S1C(CSC1=S)C1OC2OC(OC2C1O)(C)C
InChI:   InChI=1/C10H14O4S3/c1-10(2)13-7-5(11)6(12-8(7)14-10)4-3-16-9(15)17-4/h4-8,11H,3H2,1-2H3/t4-,5+,6-,7+,8+/m0/s1

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Potential Energy
Epot(MMFF94)=75.7003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.416 g/mol  logS: -4.53386  SlogP: 1.3572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144544  Sterimol/B1: 2.22693  Sterimol/B2: 3.02297  Sterimol/B3: 4.17404
  Sterimol/B4: 5.85579  Sterimol/L: 14.5294 
 
 Surface and Volume Properties
  Accessible surface: 451.129  Positive charged surface: 240.025  Negative charged surface: 211.104  Volume: 239.625
  Hydrophobic surface: 202.57  Hydrophilic surface: 248.559
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.