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PUBCHEM-ZINC01995588

 MMsINC code: MMs02838764
Type: Neutral
Formula: C19H19F4NO2
SMILES:   Fc1ccc(cc1)C(OCCNC(Cc1cc(ccc1)C(F)(F)F)C)=O
InChI:   InChI=1/C19H19F4NO2/c1-13(11-14-3-2-4-16(12-14)19(21,22)23)24-9-10-26-18(25)15-5-7-17(20)8-6-15/h2-8,12-13,24H,9-11H2,1H3/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.7115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.358 g/mol  logS: -5.04166  SlogP: 4.53357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0930007  Sterimol/B1: 2.36718  Sterimol/B2: 3.26601  Sterimol/B3: 4.31273
  Sterimol/B4: 9.21543  Sterimol/L: 14.576 
 
 Surface and Volume Properties
  Accessible surface: 575.969  Positive charged surface: 287.681  Negative charged surface: 288.288  Volume: 328.75
  Hydrophobic surface: 406.669  Hydrophilic surface: 169.3
 
 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


MMs02838765
PUBCHEM-ZINC01995588