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ENAMINE-ZINC03483521

 MMsINC code: MMs01467372
Type: Neutral
Formula: C22H19FN2O5
SMILES:   Fc1ccc(cc1)C(NC(=O)COC(=O)c1ccccc1NC(=O)c1occc1)C
InChI:   InChI=1/C22H19FN2O5/c1-14(15-8-10-16(23)11-9-15)24-20(26)13-30-22(28)17-5-2-3-6-18(17)25-21(27)19-7-4-12-29-19/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.4722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.401 g/mol  logS: -6.05083  SlogP: 3.8007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0306888  Sterimol/B1: 2.02883  Sterimol/B2: 5.27296  Sterimol/B3: 5.61872
  Sterimol/B4: 7.41603  Sterimol/L: 19.1494 
 
 Surface and Volume Properties
  Accessible surface: 705.048  Positive charged surface: 377.487  Negative charged surface: 327.562  Volume: 373
  Hydrophobic surface: 570.909  Hydrophilic surface: 134.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.