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CHEMBRIDGE-ZINC04838221

MMsINC code: MMs00796732

Type: Neutral
Formula: C14H20FNO
SMILES:   Fc1ccccc1C(=O)NC(C(C)C)C(C)C
InChI:   InChI=1/C14H20FNO/c1-9(2)13(10(3)4)16-14(17)11-7-5-6-8-12(11)15/h5-10,13H,1-4H3,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=51.8214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.318 g/mol  logS: -3.28749  SlogP: 3.2361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152647  Sterimol/B1: 3.06382  Sterimol/B2: 3.89865  Sterimol/B3: 4.2856
  Sterimol/B4: 5.74966  Sterimol/L: 13.3917 
 
 Surface and Volume Properties
  Accessible surface: 462.845  Positive charged surface: 282.614  Negative charged surface: 180.231  Volume: 246.25
  Hydrophobic surface: 372.563  Hydrophilic surface: 90.282
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.