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APOLLO-ZINC02508541

 MMsINC code: MMs00052360
Type: Neutral
Formula: C6H4F3NO
SMILES:   FC(F)(F)C(=O)c1[nH]ccc1
InChI:   InChI=1/C6H4F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.0586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.098 g/mol  logS: -1.36892  SlogP: 2.1796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423452  Sterimol/B1: 2.56681  Sterimol/B2: 2.70327  Sterimol/B3: 3.40443
  Sterimol/B4: 3.64603  Sterimol/L: 9.57548 
 
 Surface and Volume Properties
  Accessible surface: 296.637  Positive charged surface: 92.0532  Negative charged surface: 204.584  Volume: 119.625
  Hydrophobic surface: 111.166  Hydrophilic surface: 185.471
 
 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.