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ENAMINE-ZINC00374302

MMsINC code: MMs01229226

Type: Neutral
Formula: C16H15F2NO2
SMILES:   FC(F)Oc1cc(ccc1)C(=O)Nc1cccc(C)c1C
InChI:   InChI=1/C16H15F2NO2/c1-10-5-3-8-14(11(10)2)19-15(20)12-6-4-7-13(9-12)21-16(17)18/h3-9,16H,1-2H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=90.2249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.297 g/mol  logS: -4.12351  SlogP: 4.57704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0178083  Sterimol/B1: 2.38773  Sterimol/B2: 2.91275  Sterimol/B3: 3.44174
  Sterimol/B4: 5.60715  Sterimol/L: 16.5544 
 
 Surface and Volume Properties
  Accessible surface: 504.826  Positive charged surface: 265.496  Negative charged surface: 239.33  Volume: 265.5
  Hydrophobic surface: 387.576  Hydrophilic surface: 117.25
 
 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.