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ASINEX-ZINC02268461

 MMsINC code: MMs00266798
Type: Neutral
Formula: C15H12N2O4S2
SMILES:   S\1\C(=C\c2occc2)\C(=O)N/C/1=N\S(=O)(=O)Cc1ccccc1
InChI:   InChI=1/C15H12N2O4S2/c18-14-13(9-12-7-4-8-21-12)22-15(16-14)17-23(19,20)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17,18)/b13-9-

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Potential Energy
Epot(MMFF94)=24.6747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.403 g/mol  logS: -4.92799  SlogP: 2.6359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.032918  Sterimol/B1: 3.6171  Sterimol/B2: 3.61955  Sterimol/B3: 4.48445
  Sterimol/B4: 4.76656  Sterimol/L: 19.3515 
 
 Surface and Volume Properties
  Accessible surface: 570.915  Positive charged surface: 264.494  Negative charged surface: 306.42  Volume: 292.625
  Hydrophobic surface: 404.728  Hydrophilic surface: 166.187
 
 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.