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APOLLO-ZINC04266028

 MMsINC code: MMs00057200
Type: Neutral
Formula: C4H2ClF7O
SMILES:   ClC(F)OC(F)(F)C(F)C(F)(F)F
InChI:   InChI=1/C4H2ClF7O/c5-2(7)13-4(11,12)1(6)3(8,9)10/h1-2H/t1-,2+/m0/s1

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Potential Energy
Epot(MMFF94)=3.11161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.498 g/mol  logS: -2.42462  SlogP: 4.6677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162878  Sterimol/B1: 2.28384  Sterimol/B2: 2.70321  Sterimol/B3: 3.44624
  Sterimol/B4: 3.61484  Sterimol/L: 9.83653 
 
 Surface and Volume Properties
  Accessible surface: 316.18  Positive charged surface: 59.6285  Negative charged surface: 256.551  Volume: 128.375
  Hydrophobic surface: 40.6089  Hydrophilic surface: 275.5711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.