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CHEMDIV-ZINC02724111

 MMsINC code: MMs00886845
Type: Neutral
Formula: C24H19FN2O4
SMILES:   Fc1ccc(cc1)C1N(CC(=O)Nc2c1cc(cc2)C)C(=O)c1cc2OCOc2cc1
InChI:   InChI=1/C24H19FN2O4/c1-14-2-8-19-18(10-14)23(15-3-6-17(25)7-4-15)27(12-22(28)26-19)24(29)16-5-9-20-21(11-16)31-13-30-20/h2-11,23H,12-13H2,1H3,(H,26,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=178.288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.424 g/mol  logS: -6.03575  SlogP: 4.14222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.335007  Sterimol/B1: 2.44779  Sterimol/B2: 3.93549  Sterimol/B3: 6.65813
  Sterimol/B4: 9.31632  Sterimol/L: 14.4744 
 
 Surface and Volume Properties
  Accessible surface: 615.019  Positive charged surface: 339.79  Negative charged surface: 275.229  Volume: 370.125
  Hydrophobic surface: 460.778  Hydrophilic surface: 154.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.