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ENAMINE-ZINC00536336

 MMsINC code: MMs01232767
Type: Neutral
Formula: C17H14F3N3O
SMILES:   FC(F)(F)c1cc(ccc1)C(=O)NC(C)c1[nH]c2c(n1)cccc2
InChI:   InChI=1/C17H14F3N3O/c1-10(15-22-13-7-2-3-8-14(13)23-15)21-16(24)11-5-4-6-12(9-11)17(18,19)20/h2-10H,1H3,(H,21,24)(H,22,23)/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.5508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.313 g/mol  logS: -4.93419  SlogP: 4.4797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0410688  Sterimol/B1: 2.18779  Sterimol/B2: 2.35195  Sterimol/B3: 4.99729
  Sterimol/B4: 7.04318  Sterimol/L: 17.4921 
 
 Surface and Volume Properties
  Accessible surface: 564.355  Positive charged surface: 265.697  Negative charged surface: 298.658  Volume: 289.875
  Hydrophobic surface: 367.818  Hydrophilic surface: 196.537
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.