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ENAMINE-ZINC03484501

MMsINC code: MMs01467725

Type: Neutral
Formula: C23H20FNO4
SMILES:   Fc1ccc(cc1)C(NC(=O)COC(=O)c1ccc(cc1)-c1ccc(O)cc1)C
InChI:   InChI=1/C23H20FNO4/c1-15(16-6-10-20(24)11-7-16)25-22(27)14-29-23(28)19-4-2-17(3-5-19)18-8-12-21(26)13-9-18/h2-13,15,26H,14H2,1H3,(H,25,27)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=99.8086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.414 g/mol  logS: -6.3937  SlogP: 4.328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193649  Sterimol/B1: 2.10925  Sterimol/B2: 2.94777  Sterimol/B3: 5.39513
  Sterimol/B4: 6.06978  Sterimol/L: 23.2628 
 
 Surface and Volume Properties
  Accessible surface: 689.496  Positive charged surface: 363.079  Negative charged surface: 315.061  Volume: 367.75
  Hydrophobic surface: 539.512  Hydrophilic surface: 149.984
 
 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.