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ENAMINE-ZINC03207034

 MMsINC code: MMs01306338
Type: Neutral
Formula: C15H10N2S3
SMILES:   s1c2c(nc1CSc1sc3c(n1)cccc3)cccc2
InChI:   InChI=1/C15H10N2S3/c1-3-7-12-10(5-1)16-14(19-12)9-18-15-17-11-6-2-4-8-13(11)20-15/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=48.4338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.457 g/mol  logS: -5.97796  SlogP: 5.4647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0351767  Sterimol/B1: 2.97813  Sterimol/B2: 3.52756  Sterimol/B3: 4.2336
  Sterimol/B4: 4.76441  Sterimol/L: 18.2998 
 
 Surface and Volume Properties
  Accessible surface: 532.158  Positive charged surface: 244.655  Negative charged surface: 287.502  Volume: 273.125
  Hydrophobic surface: 434.824  Hydrophilic surface: 97.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.