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ENAMINE-ZINC04988820

 MMsINC code: MMs01573039
Type: Neutral
Formula: C22H24FNO5
SMILES:   Fc1ccc(cc1)C(NC(=O)COC(=O)c1ccc(OCC2OCCC2)cc1)C
InChI:   InChI=1/C22H24FNO5/c1-15(16-4-8-18(23)9-5-16)24-21(25)14-29-22(26)17-6-10-19(11-7-17)28-13-20-3-2-12-27-20/h4-11,15,20H,2-3,12-14H2,1H3,(H,24,25)/t15-,20+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.78 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.434 g/mol  logS: -5.07467  SlogP: 3.5132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239738  Sterimol/B1: 1.98487  Sterimol/B2: 2.92791  Sterimol/B3: 5.58372
  Sterimol/B4: 6.73933  Sterimol/L: 23.3522 
 
 Surface and Volume Properties
  Accessible surface: 723.371  Positive charged surface: 455.676  Negative charged surface: 267.695  Volume: 375.75
  Hydrophobic surface: 606.42  Hydrophilic surface: 116.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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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Ions/Tautomers related molecules: no related molecules available.