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NCID-ZINC01633665

 MMsINC code: MMs02277861
Type: Neutral
Formula: C11H7F6O5P
SMILES:   P1(OC(C(F)(F)F)(C(F)(F)F)C(=O)c2c(O1)cccc2)(OC)=O
InChI:   InChI=1/C11H7F6O5P/c1-20-23(19)21-7-5-3-2-4-6(7)8(18)9(22-23,10(12,13)14)11(15,16)17/h2-5H,1H3/t23-/m0/s1

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Potential Energy
Epot(MMFF94)=57.9847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.134 g/mol  logS: -4.18775  SlogP: 3.6658  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.223593  Sterimol/B1: 3.55129  Sterimol/B2: 4.14808  Sterimol/B3: 4.39158
  Sterimol/B4: 6.81546  Sterimol/L: 11.8364 
 
 Surface and Volume Properties
  Accessible surface: 452.303  Positive charged surface: 181.941  Negative charged surface: 270.362  Volume: 233.375
  Hydrophobic surface: 232.749  Hydrophilic surface: 219.554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.