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ENAMINE-ZINC06588902

 MMsINC code: MMs01679910
Type: Neutral
Formula: C14H16N4O3S3
SMILES:   s1c(nnc1SCC=C)NC(=O)CCNS(=O)(=O)c1ccccc1
InChI:   InChI=1/C14H16N4O3S3/c1-2-10-22-14-18-17-13(23-14)16-12(19)8-9-15-24(20,21)11-6-4-3-5-7-11/h2-7,15H,1,8-10H2,(H,16,17,19)

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Potential Energy
Epot(MMFF94)=20.4786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.505 g/mol  logS: -5.15879  SlogP: 2.1233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0292465  Sterimol/B1: 3.13058  Sterimol/B2: 3.4436  Sterimol/B3: 4.4847
  Sterimol/B4: 6.83908  Sterimol/L: 19.5919 
 
 Surface and Volume Properties
  Accessible surface: 640.037  Positive charged surface: 314.564  Negative charged surface: 325.473  Volume: 324.75
  Hydrophobic surface: 364.689  Hydrophilic surface: 275.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.