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CHEMBLOCK-ZINC04689341

 MMsINC code: MMs00569318
Type: Neutral
Formula: C22H30F3NO3
SMILES:   FC(F)(F)c1cc(NC(=O)CCCC(OC2CCC(CC2)C(C)(C)C)=O)ccc1
InChI:   InChI=1/C22H30F3NO3/c1-21(2,3)15-10-12-18(13-11-15)29-20(28)9-5-8-19(27)26-17-7-4-6-16(14-17)22(23,24)25/h4,6-7,14-15,18H,5,8-13H2,1-3H3,(H,26,27)/t15-,18-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.6376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.48 g/mol  logS: -6.54932  SlogP: 6.2738  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0255295  Sterimol/B1: 2.9956  Sterimol/B2: 3.48156  Sterimol/B3: 4.06325
  Sterimol/B4: 5.26913  Sterimol/L: 23.1892 
 
 Surface and Volume Properties
  Accessible surface: 709.134  Positive charged surface: 424.422  Negative charged surface: 284.711  Volume: 390
  Hydrophobic surface: 481.063  Hydrophilic surface: 228.071
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.