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ACROSORGANICS-ZINC02275880

 MMsINC code: MMs00013341
Type: Neutral
Formula: C10HF7O
SMILES:   Fc1c(F)c(F)c2c(c1O)c(F)c(F)c(F)c2F
InChI:   InChI=1/C10HF7O/c11-3-1-2(5(13)7(15)6(3)14)10(18)9(17)8(16)4(1)12/h18H

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Potential Energy
Epot(MMFF94)=46.7369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.103 g/mol  logS: -4.96567  SlogP: 3.5191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00685962  Sterimol/B1: 2.14123  Sterimol/B2: 2.20574  Sterimol/B3: 3.67218
  Sterimol/B4: 5.0785  Sterimol/L: 10.4245 
 
 Surface and Volume Properties
  Accessible surface: 355.764  Positive charged surface: 119.411  Negative charged surface: 225.282  Volume: 167
  Hydrophobic surface: 313.919  Hydrophilic surface: 41.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.