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ENAMINE-ZINC03145537

 MMsINC code: MMs01291292
Type: Neutral
Formula: C15H10Cl4O4S
SMILES:   Clc1cc(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)cc(Cl)c1OCC=C
InChI:   InChI=1/C15H10Cl4O4S/c1-2-3-23-15-12(18)6-9(7-13(15)19)24(21,22)8-4-10(16)14(20)11(17)5-8/h2,4-7,20H,1,3H2

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Potential Energy
Epot(MMFF94)=77.3599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.119 g/mol  logS: -6.47125  SlogP: 5.4034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0782121  Sterimol/B1: 3.21742  Sterimol/B2: 4.35813  Sterimol/B3: 5.14466
  Sterimol/B4: 5.40144  Sterimol/L: 17.3764 
 
 Surface and Volume Properties
  Accessible surface: 598.549  Positive charged surface: 183.113  Negative charged surface: 415.436  Volume: 324.75
  Hydrophobic surface: 438.049  Hydrophilic surface: 160.5
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.