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NCID-ZINC01678215

MMsINC code: MMs02313024

Type: Neutral
Formula: C15H12FNO
SMILES:   Fc1c2Cc3cc(NC(=O)C)ccc3-c2ccc1
InChI:   InChI=1/C15H12FNO/c1-9(18)17-11-5-6-12-10(7-11)8-14-13(12)3-2-4-15(14)16/h2-7H,8H2,1H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=67.0668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.265 g/mol  logS: -4.47312  SlogP: 3.35527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0139267  Sterimol/B1: 2.2499  Sterimol/B2: 2.65037  Sterimol/B3: 3.91368
  Sterimol/B4: 4.0341  Sterimol/L: 15.2439 
 
 Surface and Volume Properties
  Accessible surface: 447.028  Positive charged surface: 251.435  Negative charged surface: 185.4  Volume: 227.125
  Hydrophobic surface: 396.779  Hydrophilic surface: 50.249
 
 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.