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ENAMINE-ZINC03566218

 MMsINC code: MMs01511565
Type: Neutral
Formula: C18H13ClN2O4S
SMILES:   Clc1ncc(S(=O)(=O)Nc2cc3oc4c(c3cc2OC)cccc4)cc1
InChI:   InChI=1/C18H13ClN2O4S/c1-24-17-8-13-12-4-2-3-5-15(12)25-16(13)9-14(17)21-26(22,23)11-6-7-18(19)20-10-11/h2-10,21H,1H3

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Potential Energy
Epot(MMFF94)=69.3328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.831 g/mol  logS: -6.17652  SlogP: 4.4438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1769  Sterimol/B1: 2.33174  Sterimol/B2: 5.01533  Sterimol/B3: 5.22919
  Sterimol/B4: 8.83469  Sterimol/L: 14.5631 
 
 Surface and Volume Properties
  Accessible surface: 591.411  Positive charged surface: 294.866  Negative charged surface: 284.866  Volume: 321.75
  Hydrophobic surface: 471.089  Hydrophilic surface: 120.322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.