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ENAMINE-ZINC03489588

 MMsINC code: MMs01470458
Type: Neutral
Formula: C18H22F3NO3
SMILES:   FC(F)(F)c1cc(ccc1)CC(OCC(=O)NC1CCCCC1C)=O
InChI:   InChI=1/C18H22F3NO3/c1-12-5-2-3-8-15(12)22-16(23)11-25-17(24)10-13-6-4-7-14(9-13)18(19,20)21/h4,6-7,9,12,15H,2-3,5,8,10-11H2,1H3,(H,22,23)/t12-,15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.3511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.372 g/mol  logS: -4.73011  SlogP: 3.79747  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0311133  Sterimol/B1: 2.2051  Sterimol/B2: 2.82628  Sterimol/B3: 3.76975
  Sterimol/B4: 6.59242  Sterimol/L: 19.2221 
 
 Surface and Volume Properties
  Accessible surface: 627.139  Positive charged surface: 368.719  Negative charged surface: 258.42  Volume: 321.5
  Hydrophobic surface: 427.784  Hydrophilic surface: 199.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.