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ENAMINE-ZINC03266978

 MMsINC code: MMs01340150
Type: Neutral
Formula: C22H24FNO6
SMILES:   Fc1ccc(cc1)C(=O)COC(=O)C(NC(=O)c1cc(OC)cc(OC)c1)C(C)C
InChI:   InChI=1/C22H24FNO6/c1-13(2)20(22(27)30-12-19(25)14-5-7-16(23)8-6-14)24-21(26)15-9-17(28-3)11-18(10-15)29-4/h5-11,13,20H,12H2,1-4H3,(H,24,26)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.433 g/mol  logS: -5.16492  SlogP: 3.0234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0383285  Sterimol/B1: 2.28451  Sterimol/B2: 3.98214  Sterimol/B3: 5.34445
  Sterimol/B4: 7.41294  Sterimol/L: 21.7021 
 
 Surface and Volume Properties
  Accessible surface: 707.694  Positive charged surface: 450.492  Negative charged surface: 257.201  Volume: 387.25
  Hydrophobic surface: 560.996  Hydrophilic surface: 146.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.