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PUBCHEM-ZINC05031733

 MMsINC code: MMs03190874
Type: Neutral
Formula: C19H26FNO
SMILES:   Fc1ccc(cc1)C(NC(CC(C)(C)c1oc(cc1)C)C)C
InChI:   InChI=1/C19H26FNO/c1-13(12-19(4,5)18-11-6-14(2)22-18)21-15(3)16-7-9-17(20)10-8-16/h6-11,13,15,21H,12H2,1-5H3/t13-,15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.6091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.421 g/mol  logS: -4.57442  SlogP: 5.22962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140014  Sterimol/B1: 2.96948  Sterimol/B2: 3.57508  Sterimol/B3: 5.41084
  Sterimol/B4: 5.54843  Sterimol/L: 16.4501 
 
 Surface and Volume Properties
  Accessible surface: 571.5  Positive charged surface: 338.424  Negative charged surface: 233.076  Volume: 319.375
  Hydrophobic surface: 504.071  Hydrophilic surface: 67.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03190875
PUBCHEM-ZINC05031733