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APOLLO-ZINC02168709

 MMsINC code: MMs00050930
Type: Neutral
Formula: C10H10F3NO
SMILES:   FC(F)(F)c1cc(NC(=O)CC)ccc1
InChI:   InChI=1/C10H10F3NO/c1-2-9(15)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.1919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.19 g/mol  logS: -2.85265  SlogP: 3.3654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387763  Sterimol/B1: 2.53614  Sterimol/B2: 3.1486  Sterimol/B3: 3.53491
  Sterimol/B4: 4.37234  Sterimol/L: 13.4251 
 
 Surface and Volume Properties
  Accessible surface: 401.761  Positive charged surface: 196.724  Negative charged surface: 205.037  Volume: 185.125
  Hydrophobic surface: 233.9  Hydrophilic surface: 167.861
 
 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.