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NCID-ZINC04411064

 MMsINC code: MMs02385767
Type: Neutral
Formula: C12H10O4S2
SMILES:   S(S(=O)c1ccccc1O)(=O)c1ccccc1O
InChI:   InChI=1/C12H10O4S2/c13-9-5-1-3-7-11(9)17(15)18(16)12-8-4-2-6-10(12)14/h1-8,13-14H/t17-,18-/m0/s1

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Potential Energy
Epot(MMFF94)=90.0986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.34 g/mol  logS: -3.14758  SlogP: 1.9282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.059752  Sterimol/B1: 3.1272  Sterimol/B2: 3.35584  Sterimol/B3: 3.88719
  Sterimol/B4: 4.53834  Sterimol/L: 14.7457 
 
 Surface and Volume Properties
  Accessible surface: 465.118  Positive charged surface: 245.868  Negative charged surface: 219.25  Volume: 232.5
  Hydrophobic surface: 307.877  Hydrophilic surface: 157.241
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.