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ENAMINE-ZINC03465281

 MMsINC code: MMs01459277
Type: Neutral
Formula: C20H20FN3O3
SMILES:   Fc1ccccc1NC(=O)CN1C(=O)C(NC1=O)(CCC)c1ccccc1
InChI:   InChI=1/C20H20FN3O3/c1-2-12-20(14-8-4-3-5-9-14)18(26)24(19(27)23-20)13-17(25)22-16-11-7-6-10-15(16)21/h3-11H,2,12-13H2,1H3,(H,22,25)(H,23,27)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.75 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.396 g/mol  logS: -5.138  SlogP: 3.3231  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804688  Sterimol/B1: 2.04893  Sterimol/B2: 3.81075  Sterimol/B3: 4.56169
  Sterimol/B4: 7.91272  Sterimol/L: 17.5521 
 
 Surface and Volume Properties
  Accessible surface: 614.904  Positive charged surface: 351.231  Negative charged surface: 263.672  Volume: 341.875
  Hydrophobic surface: 481.945  Hydrophilic surface: 132.959
 
 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.