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ENAMINE-ZINC02640937

 MMsINC code: MMs01268997
Type: Neutral
Formula: C18H19F3N2O3
SMILES:   FC(F)(F)c1cc(ccc1)CNC(=O)CN1C(=O)C2C(CCCC2)C1=O
InChI:   InChI=1/C18H19F3N2O3/c19-18(20,21)12-5-3-4-11(8-12)9-22-15(24)10-23-16(25)13-6-1-2-7-14(13)17(23)26/h3-5,8,13-14H,1-2,6-7,9-10H2,(H,22,24)/t13-,14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.8674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.355 g/mol  logS: -4.28607  SlogP: 3.0747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.034845  Sterimol/B1: 2.43986  Sterimol/B2: 3.30576  Sterimol/B3: 3.31742
  Sterimol/B4: 6.09646  Sterimol/L: 18.343 
 
 Surface and Volume Properties
  Accessible surface: 602.691  Positive charged surface: 330.707  Negative charged surface: 271.984  Volume: 317.625
  Hydrophobic surface: 376.391  Hydrophilic surface: 226.3
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.