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OAKWOOD-ZINC02538156

 MMsINC code: MMs02545528
Type: Neutral
Formula: C10H12F2N6
SMILES:   FC(F)c1nc(nc(c1)-c1cn(nc1C)C)NN
InChI:   InChI=1/C10H12F2N6/c1-5-6(4-18(2)17-5)7-3-8(9(11)12)15-10(14-7)16-13/h3-4,9H,13H2,1-2H3,(H,14,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.1661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.244 g/mol  logS: -2.2835  SlogP: 1.86342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198571  Sterimol/B1: 2.22106  Sterimol/B2: 2.41388  Sterimol/B3: 2.56556
  Sterimol/B4: 8.15879  Sterimol/L: 13.5649 
 
 Surface and Volume Properties
  Accessible surface: 463.838  Positive charged surface: 299.693  Negative charged surface: 164.145  Volume: 219.75
  Hydrophobic surface: 226.193  Hydrophilic surface: 237.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.