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ASINEX-ZINC04476499

 MMsINC code: MMs00340059
Type: Neutral
Formula: C17H24Cl2N2O4S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)C(=O)NCCCOCC
InChI:   InChI=1/C17H24Cl2N2O4S/c1-2-25-11-3-8-20-17(22)13-6-9-21(10-7-13)26(23,24)16-12-14(18)4-5-15(16)19/h4-5,12-13H,2-3,6-11H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=31.6062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.361 g/mol  logS: -3.92007  SlogP: 2.9369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0313465  Sterimol/B1: 3.1899  Sterimol/B2: 4.02926  Sterimol/B3: 4.60126
  Sterimol/B4: 6.08505  Sterimol/L: 21.6205 
 
 Surface and Volume Properties
  Accessible surface: 681.116  Positive charged surface: 406.441  Negative charged surface: 274.675  Volume: 367.625
  Hydrophobic surface: 560.964  Hydrophilic surface: 120.152
 
 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.