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NANOSIN-ZINC03124574

MMsINC code: MMs02202761

Type: Neutral
Formula: C12H11F6NO
SMILES:   FC(F)(F)C(C(=O)NCc1ccccc1)(C(F)(F)F)C
InChI:   InChI=1/C12H11F6NO/c1-10(11(13,14)15,12(16,17)18)9(20)19-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=-1.72058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.214 g/mol  logS: -3.65524  SlogP: 4.5399  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.129297  Sterimol/B1: 2.38091  Sterimol/B2: 2.39644  Sterimol/B3: 4.82263
  Sterimol/B4: 5.12792  Sterimol/L: 13.5482 
 
 Surface and Volume Properties
  Accessible surface: 457.613  Positive charged surface: 183.037  Negative charged surface: 274.576  Volume: 228.5
  Hydrophobic surface: 254.22  Hydrophilic surface: 203.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.