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NANOSIN-ZINC01514665

 MMsINC code: MMs02198298
Type: Neutral
Formula: C15H10N4
SMILES:   [nH]1c2cccnc2nc1-c1nc2c(cc1)cccc2
InChI:   InChI=1/C15H10N4/c1-2-5-11-10(4-1)7-8-13(17-11)15-18-12-6-3-9-16-14(12)19-15/h1-9H,(H,16,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.6809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.273 g/mol  logS: -5.0265  SlogP: 3.1731  Reactive groups: 0
 
 Topological Properties
  Globularity: 7.413e-07  Sterimol/B1: 2.09952  Sterimol/B2: 2.10328  Sterimol/B3: 3.82174
  Sterimol/B4: 4.69693  Sterimol/L: 15.7487 
 
 Surface and Volume Properties
  Accessible surface: 463.553  Positive charged surface: 267.637  Negative charged surface: 190.38  Volume: 234.75
  Hydrophobic surface: 381.908  Hydrophilic surface: 81.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02198299
NANOSIN-ZINC01514665