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CHEMDIV-ZINC05466868

 MMsINC code: MMs00996258
Type: Neutral
Formula: C16H20FNO
SMILES:   Fc1ccc(cc1)CNC(=O)CC1C2CC(C1)CC2
InChI:   InChI=1/C16H20FNO/c17-15-5-2-11(3-6-15)10-18-16(19)9-14-8-12-1-4-13(14)7-12/h2-3,5-6,12-14H,1,4,7-10H2,(H,18,19)/t12-,13+,14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.0222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.34 g/mol  logS: -4.92236  SlogP: 3.5346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651167  Sterimol/B1: 2.45285  Sterimol/B2: 3.17633  Sterimol/B3: 3.73705
  Sterimol/B4: 4.95779  Sterimol/L: 16.5484 
 
 Surface and Volume Properties
  Accessible surface: 510.384  Positive charged surface: 339.686  Negative charged surface: 170.698  Volume: 262.375
  Hydrophobic surface: 465.839  Hydrophilic surface: 44.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.