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CHEMBRIDGE-ZINC01225622

 MMsINC code: MMs00690501
Type: Neutral
Formula: C16H24F6N2O
SMILES:   FC(F)(F)C(NC(=O)N(C1CCCCC1)C1CCCCC1)C(F)(F)F
InChI:   InChI=1/C16H24F6N2O/c17-15(18,19)13(16(20,21)22)23-14(25)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2,(H,23,25)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.369 g/mol  logS: -4.6066  SlogP: 5.9964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232055  Sterimol/B1: 2.52235  Sterimol/B2: 3.61539  Sterimol/B3: 3.85621
  Sterimol/B4: 9.30209  Sterimol/L: 13.1291 
 
 Surface and Volume Properties
  Accessible surface: 552.132  Positive charged surface: 313.674  Negative charged surface: 238.458  Volume: 310
  Hydrophobic surface: 366.171  Hydrophilic surface: 185.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.