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ENAMINE-ZINC03202758

 MMsINC code: MMs01304877
Type: Neutral
Formula: C9H11F3NO2P
SMILES:   P(OC(C(F)(F)F)c1ccccc1)(=O)(N)C
InChI:   InChI=1/C9H11F3NO2P/c1-16(13,14)15-8(9(10,11)12)7-5-3-2-4-6-7/h2-6,8H,1H3,(H2,13,14)/t8-,16+/m0/s1

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Potential Energy
Epot(MMFF94)=23.2625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.16 g/mol  logS: -2.29363  SlogP: 2.5334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.260734  Sterimol/B1: 2.25051  Sterimol/B2: 2.56894  Sterimol/B3: 4.92301
  Sterimol/B4: 6.24024  Sterimol/L: 11.5402 
 
 Surface and Volume Properties
  Accessible surface: 419.048  Positive charged surface: 198.336  Negative charged surface: 220.712  Volume: 202.5
  Hydrophobic surface: 214.285  Hydrophilic surface: 204.763
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.