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NCID-ZINC01643720

 MMsINC code: MMs02285076
Type: Neutral
Formula: C17H16F6NOP
SMILES:   P(=O)(Cc1ccccc1)(Cc1ccccc1)C(N)(C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C17H16F6NOP/c18-16(19,20)15(24,17(21,22)23)26(25,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12,24H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.283 g/mol  logS: -4.55136  SlogP: 5.8319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142648  Sterimol/B1: 2.95835  Sterimol/B2: 3.47186  Sterimol/B3: 4.72044
  Sterimol/B4: 6.6465  Sterimol/L: 14.3989 
 
 Surface and Volume Properties
  Accessible surface: 518.954  Positive charged surface: 232.776  Negative charged surface: 286.177  Volume: 311.375
  Hydrophobic surface: 369.765  Hydrophilic surface: 149.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.