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CHEMBRIDGE-ZINC02240308

 MMsINC code: MMs00705240
Type: Neutral
Formula: C14H11F4O3P
SMILES:   P(OC(C(F)(F)F)c1ccc(F)cc1)(O)(=O)c1ccccc1
InChI:   InChI=1/C14H11F4O3P/c15-11-8-6-10(7-9-11)13(14(16,17)18)21-22(19,20)12-4-2-1-3-5-12/h1-9,13H,(H,19,20)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=41.3014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.205 g/mol  logS: -4.23593  SlogP: 3.4018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142184  Sterimol/B1: 3.53517  Sterimol/B2: 3.9597  Sterimol/B3: 4.19456
  Sterimol/B4: 5.50792  Sterimol/L: 14.2243 
 
 Surface and Volume Properties
  Accessible surface: 505.338  Positive charged surface: 202.786  Negative charged surface: 302.553  Volume: 261.625
  Hydrophobic surface: 352.624  Hydrophilic surface: 152.714
 
 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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Ions/Tautomers related molecules: no related molecules available.