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ENAMINE-ZINC02627660

 MMsINC code: MMs01259954
Type: Neutral
Formula: C20H19ClFN3O3
SMILES:   Clc1ccccc1C1(NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O)C
InChI:   InChI=1/C20H19ClFN3O3/c1-20(15-4-2-3-5-16(15)21)18(27)25(19(28)24-20)12-17(26)23-11-10-13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3,(H,23,26)(H,24,28)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.6877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.841 g/mol  logS: -5.16081  SlogP: 2.91647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0805707  Sterimol/B1: 3.33892  Sterimol/B2: 4.09221  Sterimol/B3: 4.55249
  Sterimol/B4: 7.45015  Sterimol/L: 17.2104 
 
 Surface and Volume Properties
  Accessible surface: 646.765  Positive charged surface: 350.305  Negative charged surface: 296.461  Volume: 355.875
  Hydrophobic surface: 505.907  Hydrophilic surface: 140.858
 
 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.