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ENAMINE-ZINC03464934

 MMsINC code: MMs01459089
Type: Neutral
Formula: C20H20FN3O3
SMILES:   Fc1cc(NC(=O)CN2C(=O)C(NC2=O)(CCC)c2ccccc2)ccc1
InChI:   InChI=1/C20H20FN3O3/c1-2-11-20(14-7-4-3-5-8-14)18(26)24(19(27)23-20)13-17(25)22-16-10-6-9-15(21)12-16/h3-10,12H,2,11,13H2,1H3,(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)=65.2044 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: 0.0807287  Sterimol/B1: 2.04694  Sterimol/B2: 3.83402  Sterimol/B3: 4.544
  Sterimol/B4: 7.9183  Sterimol/L: 17.5488 
 
 Surface and Volume Properties
  Accessible surface: 615.088  Positive charged surface: 350.267  Negative charged surface: 264.821  Volume: 341.875
  Hydrophobic surface: 481.263  Hydrophilic surface: 133.825
 
 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.