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ENAMINE-ZINC02275711

 MMsINC code: MMs01249152
Type: Neutral
Formula: C10H8F6O3P-
SMILES:   P(OC(C(F)(F)F)c1cc(ccc1)C(F)(F)F)(=O)([O-])C
InChI:   InChI=1/C10H9F6O3P/c1-20(17,18)19-8(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)=34.0915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.133 g/mol  logS: -3.24516  SlogP: 3.2653  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.232299  Sterimol/B1: 2.14988  Sterimol/B2: 4.00217  Sterimol/B3: 4.3676
  Sterimol/B4: 6.14122  Sterimol/L: 12.6376 
 
 Surface and Volume Properties
  Accessible surface: 459.857  Positive charged surface: 141.786  Negative charged surface: 318.071  Volume: 218.5
  Hydrophobic surface: 185.146  Hydrophilic surface: 274.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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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Ions/Tautomers related molecules


MMs01249153
ENAMINE-ZINC02275711