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NCID-ZINC01576157

 MMsINC code: MMs02234768
Type: Neutral
Formula: C10H9F6O2P
SMILES:   P(OCC(F)(F)F)(OCC(F)(F)F)c1ccccc1
InChI:   InChI=1/C10H9F6O2P/c11-9(12,13)6-17-19(18-7-10(14,15)16)8-4-2-1-3-5-8/h1-5H,6-7H2

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Potential Energy
Epot(MMFF94)=62.9347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.142 g/mol  logS: -3.7507  SlogP: 4.6214  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.144257  Sterimol/B1: 2.5296  Sterimol/B2: 3.18039  Sterimol/B3: 3.78938
  Sterimol/B4: 7.87548  Sterimol/L: 12.5311 
 
 Surface and Volume Properties
  Accessible surface: 472.893  Positive charged surface: 182.959  Negative charged surface: 289.934  Volume: 221.375
  Hydrophobic surface: 253.02  Hydrophilic surface: 219.873
 
 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.