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FDA-ZINC03830706

 MMsINC code: MMs01726627
Type: Tautomer
Formula: C14H15N7
SMILES:   N(N=Nc1ccc(cc1)C(N)=N)c1ccc(cc1)C(N)=N
InChI:   InChI=1/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.1559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.323 g/mol  logS: -3.88073  SlogP: 2.36554  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.46505e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.10377  Sterimol/B3: 3.28879
  Sterimol/B4: 5.47148  Sterimol/L: 18.132 
 
 Surface and Volume Properties
  Accessible surface: 525.596  Positive charged surface: 286.947  Negative charged surface: 238.649  Volume: 267.25
  Hydrophobic surface: 278.321  Hydrophilic surface: 247.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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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Parent related molecule:


MMs01726626
FDA-ZINC03830706