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ENAMINE-ZINC03340844

 MMsINC code: MMs01383058
Type: Neutral
Formula: C13H12F3NO2
SMILES:   FC(F)(F)c1cc(OCc2c(noc2C)C)ccc1
InChI:   InChI=1/C13H12F3NO2/c1-8-12(9(2)19-17-8)7-18-11-5-3-4-10(6-11)13(14,15)16/h3-6H,7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.8904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.238 g/mol  logS: -3.53284  SlogP: 4.46714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150604  Sterimol/B1: 2.0776  Sterimol/B2: 3.55123  Sterimol/B3: 4.58056
  Sterimol/B4: 7.16562  Sterimol/L: 13.6753 
 
 Surface and Volume Properties
  Accessible surface: 473.328  Positive charged surface: 206.887  Negative charged surface: 266.441  Volume: 231.625
  Hydrophobic surface: 333.841  Hydrophilic surface: 139.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.