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ENAMINE-ZINC03284547

 MMsINC code: MMs01349832
Type: Neutral
Formula: C15H12N2O2S2
SMILES:   s1cccc1C(=O)CCC(=O)Nc1sc2c(n1)cccc2
InChI:   InChI=1/C15H12N2O2S2/c18-11(13-6-3-9-20-13)7-8-14(19)17-15-16-10-4-1-2-5-12(10)21-15/h1-6,9H,7-8H2,(H,16,17,19)

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Potential Energy
Epot(MMFF94)=43.9035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.405 g/mol  logS: -4.54358  SlogP: 3.9594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00387931  Sterimol/B1: 2.37449  Sterimol/B2: 2.37562  Sterimol/B3: 3.63711
  Sterimol/B4: 4.36515  Sterimol/L: 19.2449 
 
 Surface and Volume Properties
  Accessible surface: 550.22  Positive charged surface: 277.488  Negative charged surface: 272.732  Volume: 277.625
  Hydrophobic surface: 432.361  Hydrophilic surface: 117.859
 
 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.