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PUBCHEM-ZINC01714281

 MMsINC code: MMs02819171
Type: Neutral
Formula: C7H10N4
SMILES:   n1cc(N=NN(C)C)ccc1
InChI:   InChI=1/C7H10N4/c1-11(2)10-9-7-4-3-5-8-6-7/h3-6H,1-2H3/b10-9+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.1888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.185 g/mol  logS: 0.03145  SlogP: 1.6419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0172389  Sterimol/B1: 2.26585  Sterimol/B2: 2.51341  Sterimol/B3: 2.51485
  Sterimol/B4: 4.83836  Sterimol/L: 12.1216 
 
 Surface and Volume Properties
  Accessible surface: 367.005  Positive charged surface: 301.438  Negative charged surface: 65.5669  Volume: 156.75
  Hydrophobic surface: 349.438  Hydrophilic surface: 17.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.