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ENAMINE-ZINC03192584

 MMsINC code: MMs01301792
Type: Neutral
Formula: C15H12N2O3S3
SMILES:   s1cccc1S(=O)(=O)\N=C/1\S\C(=C/c2ccc(cc2)C)\C(=O)N\1
InChI:   InChI=1/C15H12N2O3S3/c1-10-4-6-11(7-5-10)9-12-14(18)16-15(22-12)17-23(19,20)13-3-2-8-21-13/h2-9H,1H3,(H,16,17,18)/b12-9-

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Potential Energy
Epot(MMFF94)=57.0051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.47 g/mol  logS: -5.67131  SlogP: 3.00532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286644  Sterimol/B1: 2.33286  Sterimol/B2: 3.20774  Sterimol/B3: 3.96379
  Sterimol/B4: 8.81174  Sterimol/L: 17.3172 
 
 Surface and Volume Properties
  Accessible surface: 576.673  Positive charged surface: 256.818  Negative charged surface: 319.855  Volume: 300.625
  Hydrophobic surface: 410.721  Hydrophilic surface: 165.952
 
 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.