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ENAMINE-ZINC05447170

 MMsINC code: MMs01615269
Type: Neutral
Formula: C24H15N3S2
SMILES:   s1c2c(nc1C(=Cc1c3c([nH]c1)cccc3)c1sc3c(n1)cccc3)cccc2
InChI:   InChI=1/C24H15N3S2/c1-2-8-18-16(7-1)15(14-25-18)13-17(23-26-19-9-3-5-11-21(19)28-23)24-27-20-10-4-6-12-22(20)29-24/h1-14,25H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.537 g/mol  logS: -6.73341  SlogP: 6.79349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0451869  Sterimol/B1: 2.46516  Sterimol/B2: 3.23042  Sterimol/B3: 4.07109
  Sterimol/B4: 11.4583  Sterimol/L: 17.1143 
 
 Surface and Volume Properties
  Accessible surface: 663.085  Positive charged surface: 320.308  Negative charged surface: 338.355  Volume: 376.5
  Hydrophobic surface: 592.526  Hydrophilic surface: 70.559
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.