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ENAMINE-ZINC03551408

 MMsINC code: MMs01503681
Type: Neutral
Formula: C18H17Cl2NO4S
SMILES:   Clc1c(S(=O)(=O)N2CCC(CC2)C(Oc2ccccc2)=O)cccc1Cl
InChI:   InChI=1/C18H17Cl2NO4S/c19-15-7-4-8-16(17(15)20)26(23,24)21-11-9-13(10-12-21)18(22)25-14-5-2-1-3-6-14/h1-8,13H,9-12H2

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Potential Energy
Epot(MMFF94)=67.4269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.309 g/mol  logS: -5.21638  SlogP: 3.9997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521551  Sterimol/B1: 3.52501  Sterimol/B2: 3.81884  Sterimol/B3: 4.26948
  Sterimol/B4: 5.15883  Sterimol/L: 18.9946 
 
 Surface and Volume Properties
  Accessible surface: 611.129  Positive charged surface: 301.908  Negative charged surface: 309.221  Volume: 344.25
  Hydrophobic surface: 531.11  Hydrophilic surface: 80.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.