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ENAMINE-ZINC03433244

 MMsINC code: MMs01438817
Type: Neutral
Formula: C17H20FNO3
SMILES:   Fc1ccc(cc1)\C=C\C(OCC(=O)NC1CCCCC1)=O
InChI:   InChI=1/C17H20FNO3/c18-14-9-6-13(7-10-14)8-11-17(21)22-12-16(20)19-15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,19,20)/b11-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.8569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.349 g/mol  logS: -4.21112  SlogP: 2.831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020505  Sterimol/B1: 3.007  Sterimol/B2: 3.13199  Sterimol/B3: 3.50572
  Sterimol/B4: 5.2405  Sterimol/L: 19.8445 
 
 Surface and Volume Properties
  Accessible surface: 580.213  Positive charged surface: 360.877  Negative charged surface: 219.336  Volume: 293.875
  Hydrophobic surface: 493.312  Hydrophilic surface: 86.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.