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ALFAAESAR-ZINC03872952

 MMsINC code: MMs00024380
Type: Neutral
Formula: C3H2ClF5O
SMILES:   ClC(OC(F)F)C(F)(F)F
InChI:   InChI=1/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.491 g/mol  logS: -1.54605  SlogP: 3.6125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178872  Sterimol/B1: 2.54547  Sterimol/B2: 3.27396  Sterimol/B3: 3.27686
  Sterimol/B4: 3.80718  Sterimol/L: 8.30832 
 
 Surface and Volume Properties
  Accessible surface: 279.117  Positive charged surface: 60.2881  Negative charged surface: 218.828  Volume: 104.25
  Hydrophobic surface: 36.9015  Hydrophilic surface: 242.2155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.