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OTAVA-ZINC01893389

 MMsINC code: MMs02565161
Type: Neutral
Formula: C15H16F7NO4
SMILES:   FC(F)(F)c1cc(NCC(OCC(F)(F)C(F)F)=O)c(OCCOC)cc1
InChI:   InChI=1/C15H16F7NO4/c1-25-4-5-26-11-3-2-9(15(20,21)22)6-10(11)23-7-12(24)27-8-14(18,19)13(16)17/h2-3,6,13,23H,4-5,7-8H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.282 g/mol  logS: -4.07053  SlogP: 4.7374  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0374746  Sterimol/B1: 1.969  Sterimol/B2: 2.46688  Sterimol/B3: 3.73745
  Sterimol/B4: 11.6625  Sterimol/L: 15.7847 
 
 Surface and Volume Properties
  Accessible surface: 628.375  Positive charged surface: 333.372  Negative charged surface: 295.003  Volume: 310
  Hydrophobic surface: 331.638  Hydrophilic surface: 296.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.