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IBS-ZINC02377930

 MMsINC code: MMs01847577
Type: Neutral
Formula: C17H14N2O4S3
SMILES:   S1\C(=C/c2ccccc2OC)\C(=O)N(NS(=O)(=O)c2ccccc2)C1=S
InChI:   InChI=1/C17H14N2O4S3/c1-23-14-10-6-5-7-12(14)11-15-16(20)19(17(24)25-15)18-26(21,22)13-8-3-2-4-9-13/h2-11,18H,1H3/b15-11-

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Potential Energy
Epot(MMFF94)=135.894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.507 g/mol  logS: -6.31521  SlogP: 2.7899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0943466  Sterimol/B1: 2.5773  Sterimol/B2: 3.14354  Sterimol/B3: 5.73726
  Sterimol/B4: 5.95285  Sterimol/L: 16.2672 
 
 Surface and Volume Properties
  Accessible surface: 587.658  Positive charged surface: 304.692  Negative charged surface: 282.966  Volume: 336.5
  Hydrophobic surface: 399.103  Hydrophilic surface: 188.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.