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ENAMINE-ZINC03386029

 MMsINC code: MMs01410556
Type: Neutral
Formula: C20H18F3NO3
SMILES:   FC(F)(F)c1cc(ccc1)C(OCC(=O)NC1CCCc2c1cccc2)=O
InChI:   InChI=1/C20H18F3NO3/c21-20(22,23)15-8-3-7-14(11-15)19(26)27-12-18(25)24-17-10-4-6-13-5-1-2-9-16(13)17/h1-3,5,7-9,11,17H,4,6,10,12H2,(H,24,25)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.1566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.362 g/mol  logS: -5.66449  SlogP: 4.46297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453835  Sterimol/B1: 2.4677  Sterimol/B2: 2.71921  Sterimol/B3: 4.84822
  Sterimol/B4: 7.35107  Sterimol/L: 18.6907 
 
 Surface and Volume Properties
  Accessible surface: 621.405  Positive charged surface: 317.305  Negative charged surface: 304.101  Volume: 330.625
  Hydrophobic surface: 442.488  Hydrophilic surface: 178.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.