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ENAMINE-ZINC03177056

 MMsINC code: MMs01296164
Type: Tautomer
Formula: C10H10F5O3P
SMILES:   P(OC(C(F)(F)C(F)(F)F)c1ccccc1)(O)(=O)C
InChI:   InChI=1/C10H10F5O3P/c1-19(16,17)18-8(7-5-3-2-4-6-7)9(11,12)10(13,14)15/h2-6,8H,1H3,(H,16,17)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=35.086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.151 g/mol  logS: -2.82043  SlogP: 3.6222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183665  Sterimol/B1: 2.2483  Sterimol/B2: 3.3313  Sterimol/B3: 3.92757
  Sterimol/B4: 7.35229  Sterimol/L: 11.6386 
 
 Surface and Volume Properties
  Accessible surface: 443.986  Positive charged surface: 175.055  Negative charged surface: 268.93  Volume: 219.375
  Hydrophobic surface: 234.512  Hydrophilic surface: 209.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs01296163
ENAMINE-ZINC03177056