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CHEMBRIDGE-ZINC02273150

 MMsINC code: MMs00705771
Type: Neutral
Formula: C17H14N2S4
SMILES:   s1c2c(nc1CSCSCc1sc3c(n1)cccc3)cccc2
InChI:   InChI=1/C17H14N2S4/c1-3-7-14-12(5-1)18-16(22-14)9-20-11-21-10-17-19-13-6-2-4-8-15(13)23-17/h1-8H,9-11H2

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Potential Energy
Epot(MMFF94)=59.4921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.577 g/mol  logS: -5.84946  SlogP: 6.5629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0203676  Sterimol/B1: 2.54296  Sterimol/B2: 2.71583  Sterimol/B3: 3.36295
  Sterimol/B4: 8.4885  Sterimol/L: 18.5696 
 
 Surface and Volume Properties
  Accessible surface: 627.569  Positive charged surface: 316.882  Negative charged surface: 310.687  Volume: 330
  Hydrophobic surface: 508.112  Hydrophilic surface: 119.457
 
 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.