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ENAMINE-ZINC03331077

MMsINC code: MMs01376733

Type: Neutral
Formula: C17H18FNO2
SMILES:   Fc1cc(ccc1)CC(=O)NCCOc1ccc(cc1)C
InChI:   InChI=1/C17H18FNO2/c1-13-5-7-16(8-6-13)21-10-9-19-17(20)12-14-3-2-4-15(18)11-14/h2-8,11H,9-10,12H2,1H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=61.2592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.334 g/mol  logS: -4.2061  SlogP: 2.87179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0310713  Sterimol/B1: 2.75959  Sterimol/B2: 3.42779  Sterimol/B3: 4.10697
  Sterimol/B4: 4.35979  Sterimol/L: 19.0634 
 
 Surface and Volume Properties
  Accessible surface: 570.256  Positive charged surface: 348.928  Negative charged surface: 221.328  Volume: 282.25
  Hydrophobic surface: 524.497  Hydrophilic surface: 45.759
 
 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.