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ENAMINE-ZINC06561203

 MMsINC code: MMs01674744
Type: Neutral
Formula: C23H20F2N2O3
SMILES:   FC(F)Oc1ccccc1\C=C\1/c2nc3c(cccc3)c(c2CN(C/1)CC)C(O)=O
InChI:   InChI=1/C23H20F2N2O3/c1-2-27-12-15(11-14-7-3-6-10-19(14)30-23(24)25)21-17(13-27)20(22(28)29)16-8-4-5-9-18(16)26-21/h3-11,23H,2,12-13H2,1H3,(H,28,29)/b15-11+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.42 g/mol  logS: -4.83436  SlogP: 5.5968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.08244  Sterimol/B1: 2.50358  Sterimol/B2: 2.82828  Sterimol/B3: 5.06559
  Sterimol/B4: 9.50772  Sterimol/L: 15.9872 
 
 Surface and Volume Properties
  Accessible surface: 644.385  Positive charged surface: 358.897  Negative charged surface: 280.016  Volume: 369.125
  Hydrophobic surface: 435.752  Hydrophilic surface: 208.633
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.