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ASINEX-ZINC01325845

 MMsINC code: MMs00235213
Type: Neutral
Formula: C18H28N2O4S2
SMILES:   S(=O)(=O)(NC1CCCCC1C)c1ccc(S(=O)(=O)NC2CCCC2)cc1
InChI:   InChI=1/C18H28N2O4S2/c1-14-6-2-5-9-18(14)20-26(23,24)17-12-10-16(11-13-17)25(21,22)19-15-7-3-4-8-15/h10-15,18-20H,2-9H2,1H3/t14-,18-/m1/s1

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Potential Energy
Epot(MMFF94)=5.07905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.564 g/mol  logS: -3.68967  SlogP: 2.7645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0868115  Sterimol/B1: 3.04046  Sterimol/B2: 3.19922  Sterimol/B3: 5.13169
  Sterimol/B4: 6.5463  Sterimol/L: 17.0113 
 
 Surface and Volume Properties
  Accessible surface: 623.044  Positive charged surface: 399.566  Negative charged surface: 223.478  Volume: 362.75
  Hydrophobic surface: 450.262  Hydrophilic surface: 172.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.