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PUBCHEM-ZINC03647609

 MMsINC code: MMs03033222
Type: Neutral
Formula: C9H9N6P
SMILES:   P(n1ccnc1)(n1ccnc1)n1ccnc1
InChI:   InChI=1/C9H9N6P/c1-4-13(7-10-1)16(14-5-2-11-8-14)15-6-3-12-9-15/h1-9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.5272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.187 g/mol  logS: -0.46521  SlogP: 1.4477  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.2334  Sterimol/B1: 2.31632  Sterimol/B2: 3.70573  Sterimol/B3: 4.38952
  Sterimol/B4: 5.897  Sterimol/L: 10.6926 
 
 Surface and Volume Properties
  Accessible surface: 399.798  Positive charged surface: 293.095  Negative charged surface: 106.703  Volume: 204.375
  Hydrophobic surface: 309.521  Hydrophilic surface: 90.277
 
 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.