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ENAMINE-ZINC03617718

 MMsINC code: MMs01525378
Type: Neutral
Formula: C15H10N4OS
SMILES:   s1c2c(nc1CN1N=Nc3c(cccc3)C1=O)cccc2
InChI:   InChI=1/C15H10N4OS/c20-15-10-5-1-2-6-11(10)17-18-19(15)9-14-16-12-7-3-4-8-13(12)21-14/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=64.1787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.338 g/mol  logS: -4.03955  SlogP: 4.2174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122401  Sterimol/B1: 2.78752  Sterimol/B2: 3.10694  Sterimol/B3: 4.92391
  Sterimol/B4: 5.24692  Sterimol/L: 14.9236 
 
 Surface and Volume Properties
  Accessible surface: 502.858  Positive charged surface: 251.356  Negative charged surface: 251.502  Volume: 260.125
  Hydrophobic surface: 446.102  Hydrophilic surface: 56.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.