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ENAMINE-ZINC06566195

 MMsINC code: MMs01675217
Type: Neutral
Formula: C24H17N3S
SMILES:   s1c2c(nc1\C=C\c1cn(nc1-c1ccccc1)-c1ccccc1)cccc2
InChI:   InChI=1/C24H17N3S/c1-3-9-18(10-4-1)24-19(17-27(26-24)20-11-5-2-6-12-20)15-16-23-25-21-13-7-8-14-22(21)28-23/h1-17H/b16-15+

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Potential Energy
Epot(MMFF94)=101.645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.487 g/mol  logS: -6.69818  SlogP: 6.3194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00885468  Sterimol/B1: 2.53187  Sterimol/B2: 2.76834  Sterimol/B3: 2.78607
  Sterimol/B4: 11.6845  Sterimol/L: 18.9755 
 
 Surface and Volume Properties
  Accessible surface: 665.163  Positive charged surface: 315.298  Negative charged surface: 349.865  Volume: 369.875
  Hydrophobic surface: 605.104  Hydrophilic surface: 60.059
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.