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ENAMINE-ZINC03439602

 MMsINC code: MMs01443184
Type: Neutral
Formula: C21H22FNO5
SMILES:   Fc1cc(NC(=O)COC(=O)c2ccc(OCC3OCCC3)cc2)c(cc1)C
InChI:   InChI=1/C21H22FNO5/c1-14-4-7-16(22)11-19(14)23-20(24)13-28-21(25)15-5-8-17(9-6-15)27-12-18-3-2-10-26-18/h4-9,11,18H,2-3,10,12-13H2,1H3,(H,23,24)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.407 g/mol  logS: -4.96389  SlogP: 3.48742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0131895  Sterimol/B1: 2.61457  Sterimol/B2: 3.97303  Sterimol/B3: 4.74828
  Sterimol/B4: 6.40554  Sterimol/L: 21.339 
 
 Surface and Volume Properties
  Accessible surface: 689.501  Positive charged surface: 440.587  Negative charged surface: 248.913  Volume: 358.25
  Hydrophobic surface: 597.373  Hydrophilic surface: 92.128
 
 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.