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ACROSORGANICS-ZINC01624985

 MMsINC code: MMs00009943
Type: Neutral
Formula: C10H12O4S
SMILES:   S(OCC1OC1)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-7-9-6-13-9/h2-5,9H,6-7H2,1H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=36.6601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.268 g/mol  logS: -2.54553  SlogP: 1.09912  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.107914  Sterimol/B1: 2.52921  Sterimol/B2: 2.93125  Sterimol/B3: 4.08868
  Sterimol/B4: 6.3531  Sterimol/L: 13.2853 
 
 Surface and Volume Properties
  Accessible surface: 427.828  Positive charged surface: 204.741  Negative charged surface: 223.087  Volume: 200.875
  Hydrophobic surface: 327.101  Hydrophilic surface: 100.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.