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ASINEX-ZINC04411977

 MMsINC code: MMs00333666
Type: Neutral
Formula: C14H11NO2S2
SMILES:   S(c1ccccc1N)C=1c2c(S(=O)(=O)C=1)cccc2
InChI:   InChI=1/C14H11NO2S2/c15-11-6-2-3-7-12(11)18-13-9-19(16,17)14-8-4-1-5-10(13)14/h1-9H,15H2

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Potential Energy
Epot(MMFF94)=73.3896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.379 g/mol  logS: -4.52271  SlogP: 3.1468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18301  Sterimol/B1: 2.31542  Sterimol/B2: 2.38897  Sterimol/B3: 5.26231
  Sterimol/B4: 7.05163  Sterimol/L: 12.4646 
 
 Surface and Volume Properties
  Accessible surface: 465.653  Positive charged surface: 220.168  Negative charged surface: 245.485  Volume: 249.875
  Hydrophobic surface: 310.146  Hydrophilic surface: 155.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.