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ENAMINE-ZINC04514564

 MMsINC code: MMs01544680
Type: Neutral
Formula: C20H20F2N2O5
SMILES:   FC(F)Oc1ccc(cc1)C1(NC(=O)N(CCOc2ccc(OC)cc2)C1=O)C
InChI:   InChI=1/C20H20F2N2O5/c1-20(13-3-5-16(6-4-13)29-18(21)22)17(25)24(19(26)23-20)11-12-28-15-9-7-14(27-2)8-10-15/h3-10,18H,11-12H2,1-2H3,(H,23,26)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.4532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.385 g/mol  logS: -4.15895  SlogP: 3.874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140549  Sterimol/B1: 3.57863  Sterimol/B2: 3.75719  Sterimol/B3: 4.4834
  Sterimol/B4: 9.48075  Sterimol/L: 15.2885 
 
 Surface and Volume Properties
  Accessible surface: 648.087  Positive charged surface: 397.738  Negative charged surface: 250.349  Volume: 356.375
  Hydrophobic surface: 459.443  Hydrophilic surface: 188.644
 
 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.