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NANOSIN-ZINC01516384

 MMsINC code: MMs02198740
Type: Neutral
Formula: C18H14F3NO3
SMILES:   FC(F)(F)c1noc(c1-c1ccccc1)-c1cc(CC)c(O)cc1O
InChI:   InChI=1/C18H14F3NO3/c1-2-10-8-12(14(24)9-13(10)23)16-15(11-6-4-3-5-7-11)17(22-25-16)18(19,20)21/h3-9,23-24H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.7826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.308 g/mol  logS: -6.01405  SlogP: 5.31247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147792  Sterimol/B1: 3.32601  Sterimol/B2: 3.8008  Sterimol/B3: 4.54164
  Sterimol/B4: 7.6702  Sterimol/L: 13.2833 
 
 Surface and Volume Properties
  Accessible surface: 529.697  Positive charged surface: 263.219  Negative charged surface: 266.478  Volume: 297.25
  Hydrophobic surface: 307.097  Hydrophilic surface: 222.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.