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NCID-ZINC01646013

 MMsINC code: MMs02286679
Type: Neutral
Formula: C20H24F3N2O4P
SMILES:   P(OCC)(OCC)(=O)C(N(C(=O)NC(F)(F)F)c1ccc(cc1)C)c1ccccc1
InChI:   InChI=1/C20H24F3N2O4P/c1-4-28-30(27,29-5-2)18(16-9-7-6-8-10-16)25(19(26)24-20(21,22)23)17-13-11-15(3)12-14-17/h6-14,18H,4-5H2,1-3H3,(H,24,26)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.39 g/mol  logS: -5.25896  SlogP: 5.44092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.284938  Sterimol/B1: 2.28021  Sterimol/B2: 4.53259  Sterimol/B3: 7.45966
  Sterimol/B4: 7.93962  Sterimol/L: 14.6285 
 
 Surface and Volume Properties
  Accessible surface: 638.14  Positive charged surface: 344.58  Negative charged surface: 293.56  Volume: 383.875
  Hydrophobic surface: 488.783  Hydrophilic surface: 149.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.