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CHEMBLOCK-ZINC00061011

 MMsINC code: MMs00492159
Type: Neutral
Formula: C11H10F3NO3
SMILES:   FC(F)(F)C1(ON=C(C1)c1cc(ccc1O)C)O
InChI:   InChI=1/C11H10F3NO3/c1-6-2-3-9(16)7(4-6)8-5-10(17,18-15-8)11(12,13)14/h2-4,16-17H,5H2,1H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=80.9442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.199 g/mol  logS: -2.99648  SlogP: 2.49582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0554528  Sterimol/B1: 2.18994  Sterimol/B2: 3.26605  Sterimol/B3: 3.51704
  Sterimol/B4: 6.70314  Sterimol/L: 12.9229 
 
 Surface and Volume Properties
  Accessible surface: 429.883  Positive charged surface: 198.541  Negative charged surface: 231.342  Volume: 207.5
  Hydrophobic surface: 214.798  Hydrophilic surface: 215.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.