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ENAMINE-ZINC02631511

 MMsINC code: MMs01262620
Type: Neutral
Formula: C14H15N3O3S2
SMILES:   s1ccnc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1
InChI:   InChI=1/C14H15N3O3S2/c18-13(16-14-15-6-9-21-14)11-4-3-5-12(10-11)22(19,20)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8H2,(H,15,16,18)

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Potential Energy
Epot(MMFF94)=41.6595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.424 g/mol  logS: -3.29218  SlogP: 2.1799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0680979  Sterimol/B1: 2.40525  Sterimol/B2: 3.17391  Sterimol/B3: 5.04458
  Sterimol/B4: 7.37192  Sterimol/L: 16.6263 
 
 Surface and Volume Properties
  Accessible surface: 543.014  Positive charged surface: 317.727  Negative charged surface: 225.287  Volume: 287.375
  Hydrophobic surface: 417.495  Hydrophilic surface: 125.519
 
 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.