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ENAMINE-ZINC03318638

 MMsINC code: MMs01368722
Type: Neutral
Formula: C14H13ClFNO3
SMILES:   Clc1cccc(F)c1CC(OCc1c(noc1C)C)=O
InChI:   InChI=1/C14H13ClFNO3/c1-8-11(9(2)20-17-8)7-19-14(18)6-10-12(15)4-3-5-13(10)16/h3-5H,6-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.8712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.713 g/mol  logS: -3.89838  SlogP: 3.63621  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0462857  Sterimol/B1: 2.06306  Sterimol/B2: 2.79261  Sterimol/B3: 3.32909
  Sterimol/B4: 7.27639  Sterimol/L: 14.9742 
 
 Surface and Volume Properties
  Accessible surface: 516.586  Positive charged surface: 250.18  Negative charged surface: 266.406  Volume: 260
  Hydrophobic surface: 461.005  Hydrophilic surface: 55.581
 
 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.