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ENAMINE-ZINC04370733

 MMsINC code: MMs01539010
Type: Neutral
Formula: C22H23F2NO5
SMILES:   FC(F)Oc1ccc(cc1OC)C(OC(C(=O)NC1CCCc2c1cccc2)C)=O
InChI:   InChI=1/C22H23F2NO5/c1-13(20(26)25-17-9-5-7-14-6-3-4-8-16(14)17)29-21(27)15-10-11-18(30-22(23)24)19(12-15)28-2/h3-4,6,8,10-13,17,22H,5,7,9H2,1-2H3,(H,25,26)/t13-,17+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.98 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.424 g/mol  logS: -5.11978  SlogP: 4.55107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0973232  Sterimol/B1: 2.03659  Sterimol/B2: 4.15998  Sterimol/B3: 5.26283
  Sterimol/B4: 8.40753  Sterimol/L: 18.2982 
 
 Surface and Volume Properties
  Accessible surface: 688.659  Positive charged surface: 427.705  Negative charged surface: 260.954  Volume: 375
  Hydrophobic surface: 512.694  Hydrophilic surface: 175.965
 
 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.