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APOLLO-ZINC04266024

 MMsINC code: MMs00057199
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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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.19194 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: 0.150737  Sterimol/B1: 2.57447  Sterimol/B2: 2.82284  Sterimol/B3: 3.45303
  Sterimol/B4: 4.11222  Sterimol/L: 9.83499 
 
 Surface and Volume Properties
  Accessible surface: 315.904  Positive charged surface: 60.2668  Negative charged surface: 255.637  Volume: 128.5
  Hydrophobic surface: 40.9077  Hydrophilic surface: 274.9963
 
 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.