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NCID-ZINC01444905

 MMsINC code: MMs02218614
Type: Neutral
Formula: C14H14N4O
SMILES:   O(c1ccc(cc1)C(N)=N)c1ccc(cc1)C(N)=N
InChI:   InChI=1/C14H14N4O/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.0516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.293 g/mol  logS: -4.07335  SlogP: 2.04704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0739082  Sterimol/B1: 3.40473  Sterimol/B2: 3.63025  Sterimol/B3: 3.76085
  Sterimol/B4: 5.31568  Sterimol/L: 15.7415 
 
 Surface and Volume Properties
  Accessible surface: 483.385  Positive charged surface: 280.622  Negative charged surface: 202.764  Volume: 244.875
  Hydrophobic surface: 253.549  Hydrophilic surface: 229.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02218615
NCID-ZINC01444905