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NCID-ZINC01703664

 MMsINC code: MMs02332686
Type: Neutral
Formula: C9H14N5+
SMILES:   [NH2+]=C(N)c1ccc(N=NN(C)C)cc1
InChI:   InChI=1/C9H13N5/c1-14(2)13-12-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3,(H3,10,11)/p+1/b13-12+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.246 g/mol  logS: -1.65518  SlogP: -0.2887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560813  Sterimol/B1: 2.98403  Sterimol/B2: 3.26085  Sterimol/B3: 3.28303
  Sterimol/B4: 3.72963  Sterimol/L: 13.9196 
 
 Surface and Volume Properties
  Accessible surface: 438.364  Positive charged surface: 346.31  Negative charged surface: 92.0538  Volume: 195.375
  Hydrophobic surface: 313.135  Hydrophilic surface: 125.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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


MMs02332687
NCID-ZINC01703664