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PUBCHEM-ZINC05314260

 MMsINC code: MMs03237726
Type: Neutral
Formula: C10H22F3N2O2P
SMILES:   P(OCC(F)(F)F)(=O)(N(CC)CC)N(CC)CC
InChI:   InChI=1/C10H22F3N2O2P/c1-5-14(6-2)18(16,15(7-3)8-4)17-9-10(11,12)13/h5-9H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.34602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.266 g/mol  logS: -1.29439  SlogP: 2.7067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.331142  Sterimol/B1: 2.33426  Sterimol/B2: 2.42496  Sterimol/B3: 6.29191
  Sterimol/B4: 7.77127  Sterimol/L: 11.325 
 
 Surface and Volume Properties
  Accessible surface: 479.341  Positive charged surface: 282.178  Negative charged surface: 197.163  Volume: 257.875
  Hydrophobic surface: 276.045  Hydrophilic surface: 203.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.