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CHEMDIV-ZINC00039518

 MMsINC code: MMs00829660
Type: Neutral
Formula: C6H9FN4
SMILES:   Fc1nc(nc(NC)c1)NC
InChI:   InChI=1/C6H9FN4/c1-8-5-3-4(7)10-6(9-2)11-5/h3H,1-2H3,(H2,8,9,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-28.6584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.164 g/mol  logS: -1.3999  SlogP: 0.6991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0209107  Sterimol/B1: 2.37507  Sterimol/B2: 2.3755  Sterimol/B3: 2.97086
  Sterimol/B4: 4.96142  Sterimol/L: 11.8541 
 
 Surface and Volume Properties
  Accessible surface: 348  Positive charged surface: 274.33  Negative charged surface: 73.6702  Volume: 143.25
  Hydrophobic surface: 230.496  Hydrophilic surface: 117.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.