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ASINEX-ZINC06679830

 MMsINC code: MMs00443845
Type: Neutral
Formula: C15H18N2O4S3
SMILES:   s1c(C)c(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1sccc1
InChI:   InChI=1/C15H18N2O4S3/c1-11-14(24(19,20)17-4-6-21-7-5-17)9-13(23-11)15(18)16-10-12-3-2-8-22-12/h2-3,8-9H,4-7,10H2,1H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=53.038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.517 g/mol  logS: -3.43068  SlogP: 2.33532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0598152  Sterimol/B1: 2.41124  Sterimol/B2: 3.63905  Sterimol/B3: 4.34534
  Sterimol/B4: 6.48847  Sterimol/L: 17.9015 
 
 Surface and Volume Properties
  Accessible surface: 597.814  Positive charged surface: 323.799  Negative charged surface: 274.015  Volume: 325.125
  Hydrophobic surface: 481.233  Hydrophilic surface: 116.581
 
 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.