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ENAMINE-ZINC03384579

 MMsINC code: MMs01409475
Type: Neutral
Formula: C15H13ClO7S
SMILES:   Clc1ccc(S(=O)(=O)C)cc1C(OCc1oc(cc1)C(OC)=O)=O
InChI:   InChI=1/C15H13ClO7S/c1-21-15(18)13-6-3-9(23-13)8-22-14(17)11-7-10(24(2,19)20)4-5-12(11)16/h3-7H,8H2,1-2H3

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Potential Energy
Epot(MMFF94)=74.4281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.781 g/mol  logS: -4.69571  SlogP: 2.7465  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0818976  Sterimol/B1: 2.52209  Sterimol/B2: 3.84864  Sterimol/B3: 5.4467
  Sterimol/B4: 7.46365  Sterimol/L: 15.9887 
 
 Surface and Volume Properties
  Accessible surface: 605.987  Positive charged surface: 315.011  Negative charged surface: 290.976  Volume: 301.375
  Hydrophobic surface: 445.929  Hydrophilic surface: 160.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.