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MAYBRIDGE-ZINC02150323

 MMsINC code: MMs02158711
Type: Neutral
Formula: C15H16N2O3S3
SMILES:   s1cc(cc1)\C=N\NC(=O)CSCCS(=O)(=O)c1ccccc1
InChI:   InChI=1/C15H16N2O3S3/c18-15(17-16-10-13-6-7-21-11-13)12-22-8-9-23(19,20)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,17,18)/b16-10+

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Potential Energy
Epot(MMFF94)=79.412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.502 g/mol  logS: -4.35091  SlogP: 2.4053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0231771  Sterimol/B1: 3.23337  Sterimol/B2: 3.61705  Sterimol/B3: 3.62038
  Sterimol/B4: 5.13503  Sterimol/L: 22.4545 
 
 Surface and Volume Properties
  Accessible surface: 635.158  Positive charged surface: 307.772  Negative charged surface: 327.386  Volume: 320.25
  Hydrophobic surface: 465.589  Hydrophilic surface: 169.569
 
 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.