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CHEMSTAR-ZINC04119565

 MMsINC code: MMs01106535
Type: Ionized
Formula: C10H8F6O2P-
SMILES:   P(=O)([O-])(C(C(F)(F)F)c1cc(ccc1)C(F)(F)F)C
InChI:   InChI=1/C10H9F6O2P/c1-19(17,18)8(10(14,15)16)6-3-2-4-7(5-6)9(11,12)13/h2-5,8H,1H3,(H,17,18)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=29.9799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.134 g/mol  logS: -2.9906  SlogP: 3.3337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143515  Sterimol/B1: 3.26267  Sterimol/B2: 3.41298  Sterimol/B3: 4.69861
  Sterimol/B4: 5.12278  Sterimol/L: 12.4624 
 
 Surface and Volume Properties
  Accessible surface: 432.231  Positive charged surface: 125.721  Negative charged surface: 306.51  Volume: 210.875
  Hydrophobic surface: 172.076  Hydrophilic surface: 260.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs01106534
CHEMSTAR-ZINC04119565