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CHEMSTAR-ZINC01262805

 MMsINC code: MMs01078130
Type: Neutral
Formula: C14H13F3NO2P
SMILES:   P(Oc1ccccc1)(=O)(Nc1cc(ccc1)C(F)(F)F)C
InChI:   InChI=1/C14H13F3NO2P/c1-21(19,20-13-8-3-2-4-9-13)18-12-7-5-6-11(10-12)14(15,16)17/h2-10H,1H3,(H,18,19)/t21-/m1/s1

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Potential Energy
Epot(MMFF94)=70.0248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.231 g/mol  logS: -3.6366  SlogP: 4.2605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0719239  Sterimol/B1: 2.74006  Sterimol/B2: 2.76143  Sterimol/B3: 4.49373
  Sterimol/B4: 4.82053  Sterimol/L: 16.3374 
 
 Surface and Volume Properties
  Accessible surface: 502.217  Positive charged surface: 219.192  Negative charged surface: 283.025  Volume: 258.625
  Hydrophobic surface: 326.414  Hydrophilic surface: 175.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.