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ENAMINE-ZINC06881083

 MMsINC code: MMs01709287
Type: Neutral
Formula: C15H10F2N4O
SMILES:   Fc1cc(NC(=O)c2nn(nc2)-c2ccccc2)ccc1F
InChI:   InChI=1/C15H10F2N4O/c16-12-7-6-10(8-13(12)17)19-15(22)14-9-18-21(20-14)11-4-2-1-3-5-11/h1-9H,(H,19,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.4899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.268 g/mol  logS: -3.77192  SlogP: 2.7978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.012669  Sterimol/B1: 2.50982  Sterimol/B2: 2.88658  Sterimol/B3: 3.23106
  Sterimol/B4: 6.19883  Sterimol/L: 17.0624 
 
 Surface and Volume Properties
  Accessible surface: 517.677  Positive charged surface: 260.256  Negative charged surface: 257.421  Volume: 257.125
  Hydrophobic surface: 442.361  Hydrophilic surface: 75.316
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.