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ENAMINE-ZINC06882305

 MMsINC code: MMs01710938
Type: Neutral
Formula: C19H23F2NO2
SMILES:   FC(F)Oc1cc(ccc1)C(=O)NCC12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C19H23F2NO2/c20-18(21)24-16-3-1-2-15(7-16)17(23)22-11-19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,7,12-14,18H,4-6,8-11H2,(H,22,23)/t12-,13+,14-,19-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.7514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.394 g/mol  logS: -5.38298  SlogP: 4.6541  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619699  Sterimol/B1: 2.56109  Sterimol/B2: 3.62482  Sterimol/B3: 3.62491
  Sterimol/B4: 5.96476  Sterimol/L: 16.9201 
 
 Surface and Volume Properties
  Accessible surface: 547.316  Positive charged surface: 353.603  Negative charged surface: 193.713  Volume: 309.625
  Hydrophobic surface: 425.026  Hydrophilic surface: 122.29
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.