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ENAMINE-ZINC03418972

 MMsINC code: MMs01430737
Type: Neutral
Formula: C18H16F3NO4
SMILES:   FC(F)(F)c1ccc(NC(=O)C(OC(=O)c2ccc(cc2)CO)C)cc1
InChI:   InChI=1/C18H16F3NO4/c1-11(26-17(25)13-4-2-12(10-23)3-5-13)16(24)22-15-8-6-14(7-9-15)18(19,20)21/h2-9,11,23H,10H2,1H3,(H,22,24)/t11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.8691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.323 g/mol  logS: -4.91782  SlogP: 3.9596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.025147  Sterimol/B1: 2.14476  Sterimol/B2: 2.45962  Sterimol/B3: 3.86912
  Sterimol/B4: 7.6201  Sterimol/L: 18.9107 
 
 Surface and Volume Properties
  Accessible surface: 623.825  Positive charged surface: 310.304  Negative charged surface: 313.521  Volume: 315.125
  Hydrophobic surface: 367.432  Hydrophilic surface: 256.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.