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ASINEX-ZINC00911437

 MMsINC code: MMs00216607
Type: Neutral
Formula: C18H17ClN2O2S2
SMILES:   Clc1ccc(cc1)CS(=O)(=O)c1sc2nc3CCCCc3cc2c1N
InChI:   InChI=1/C18H17ClN2O2S2/c19-13-7-5-11(6-8-13)10-25(22,23)18-16(20)14-9-12-3-1-2-4-15(12)21-17(14)24-18/h5-9H,1-4,10,20H2

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Potential Energy
Epot(MMFF94)=82.4476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.931 g/mol  logS: -6.1555  SlogP: 4.65094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0238239  Sterimol/B1: 2.73516  Sterimol/B2: 2.93362  Sterimol/B3: 4.19185
  Sterimol/B4: 5.15426  Sterimol/L: 19.9799 
 
 Surface and Volume Properties
  Accessible surface: 600.171  Positive charged surface: 309.994  Negative charged surface: 285.317  Volume: 334.875
  Hydrophobic surface: 493.517  Hydrophilic surface: 106.654
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.