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ENAMINE-ZINC01869169

 MMsINC code: MMs01245165
Type: Neutral
Formula: C22H16F7O4P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(OC(C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1)=
O
InChI:   InChI=1/C22H16F7O4P/c23-20(24,21(25,26)22(27,28)29)19(16-10-4-1-5-11-16)33-34(30,31-17-12-6-2-7-13-17)32-18-14-8-3-9-15-18/h1-15,19H/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 508.326 g/mol  logS: -7.52767  SlogP: 8.1283  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.280166  Sterimol/B1: 2.6792  Sterimol/B2: 3.11325  Sterimol/B3: 6.26312
  Sterimol/B4: 10.3127  Sterimol/L: 14.1847 
 
 Surface and Volume Properties
  Accessible surface: 663.985  Positive charged surface: 300.54  Negative charged surface: 363.446  Volume: 393.375
  Hydrophobic surface: 510.016  Hydrophilic surface: 153.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.