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ENAMINE-ZINC01845036

 MMsINC code: MMs01245037
Type: Neutral
Formula: C10H10F3N3
SMILES:   FC(F)(F)c1cc(N2N=C(N)CC2)ccc1
InChI:   InChI=1/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.9549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.205 g/mol  logS: -2.64791  SlogP: 2.4992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0262062  Sterimol/B1: 2.47851  Sterimol/B2: 2.63557  Sterimol/B3: 2.64057
  Sterimol/B4: 6.02265  Sterimol/L: 12.4244 
 
 Surface and Volume Properties
  Accessible surface: 412.081  Positive charged surface: 216.755  Negative charged surface: 195.326  Volume: 191.375
  Hydrophobic surface: 208.56  Hydrophilic surface: 203.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.