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CHEMBRIDGE-ZINC04845275

 MMsINC code: MMs00801629
Type: Tautomer
Formula: C23H24FNO5
SMILES:   Fc1ccccc1C1N(CCCOC)C(=O)C(=O)C1C(=O)c1ccc(OCC)cc1
InChI:   InChI=1/C23H24FNO5/c1-3-30-16-11-9-15(10-12-16)21(26)19-20(17-7-4-5-8-18(17)24)25(13-6-14-29-2)23(28)22(19)27/h4-5,7-12,19-20H,3,6,13-14H2,1-2H3/t19-,20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.445 g/mol  logS: -4.77792  SlogP: 3.3079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117375  Sterimol/B1: 2.83965  Sterimol/B2: 3.94629  Sterimol/B3: 6.67747
  Sterimol/B4: 7.49103  Sterimol/L: 19.482 
 
 Surface and Volume Properties
  Accessible surface: 671.074  Positive charged surface: 444.457  Negative charged surface: 226.616  Volume: 386.625
  Hydrophobic surface: 532.517  Hydrophilic surface: 138.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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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Parent related molecule:


MMs00801627
CHEMBRIDGE-ZINC04845275