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ENAMINE-ZINC04477154

 MMsINC code: MMs01540372
Type: Neutral
Formula: C20H20FN3O3
SMILES:   Fc1cc(NC(=O)CN2C(=O)C(NC2=O)(CC)c2ccccc2)ccc1C
InChI:   InChI=1/C20H20FN3O3/c1-3-20(14-7-5-4-6-8-14)18(26)24(19(27)23-20)12-17(25)22-15-10-9-13(2)16(21)11-15/h4-11H,3,12H2,1-2H3,(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)=68.7488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.396 g/mol  logS: -4.78325  SlogP: 3.24142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0648684  Sterimol/B1: 2.53919  Sterimol/B2: 4.12132  Sterimol/B3: 4.31014
  Sterimol/B4: 6.5378  Sterimol/L: 18.7639 
 
 Surface and Volume Properties
  Accessible surface: 607.759  Positive charged surface: 345.751  Negative charged surface: 262.007  Volume: 338.5
  Hydrophobic surface: 476.569  Hydrophilic surface: 131.19
 
 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.