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PUBCHEM-ZINC05031665

 MMsINC code: MMs03190864
Type: Neutral
Formula: C19H26FNO
SMILES:   Fc1cc(ccc1)CCNC(CC(C)(C)c1oc(cc1)C)C
InChI:   InChI=1/C19H26FNO/c1-14(13-19(3,4)18-9-8-15(2)22-18)21-11-10-16-6-5-7-17(20)12-16/h5-9,12,14,21H,10-11,13H2,1-4H3/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.0631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.421 g/mol  logS: -4.30868  SlogP: 4.61559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541812  Sterimol/B1: 2.94392  Sterimol/B2: 4.35596  Sterimol/B3: 4.47034
  Sterimol/B4: 4.97352  Sterimol/L: 18.3948 
 
 Surface and Volume Properties
  Accessible surface: 589.059  Positive charged surface: 359.323  Negative charged surface: 229.736  Volume: 321
  Hydrophobic surface: 527.854  Hydrophilic surface: 61.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs03190865
PUBCHEM-ZINC05031665