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ENAMINE-ZINC03343426

 MMsINC code: MMs01384545
Type: Neutral
Formula: C19H14F3N3O4
SMILES:   Fc1c(F)c(F)ccc1NC(=O)CN1C(=O)C2(NC1=O)CCOc1c2cccc1
InChI:   InChI=1/C19H14F3N3O4/c20-11-5-6-12(16(22)15(11)21)23-14(26)9-25-17(27)19(24-18(25)28)7-8-29-13-4-2-1-3-10(13)19/h1-6H,7-9H2,(H,23,26)(H,24,28)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.0501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.332 g/mol  logS: -5.08475  SlogP: 2.5837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551576  Sterimol/B1: 2.55111  Sterimol/B2: 3.07469  Sterimol/B3: 4.86925
  Sterimol/B4: 7.23995  Sterimol/L: 17.667 
 
 Surface and Volume Properties
  Accessible surface: 599.696  Positive charged surface: 315.595  Negative charged surface: 284.101  Volume: 326.875
  Hydrophobic surface: 466.996  Hydrophilic surface: 132.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.