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PUBCHEM-ZINC04466740

 MMsINC code: MMs03123101
Type: Neutral
Formula: C20H24FNO
SMILES:   Fc1ccc(NC(=O)C2C3C2CC\C=C\CC\C=C/CC3)cc1
InChI:   InChI=1/C20H24FNO/c21-15-11-13-16(14-12-15)22-20(23)19-17-9-7-5-3-1-2-4-6-8-10-18(17)19/h3-6,11-14,17-19H,1-2,7-10H2,(H,22,23)/b5-3-,6-4+/t17-,18-,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=164.371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.416 g/mol  logS: -4.91233  SlogP: 5.093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0734492  Sterimol/B1: 2.98954  Sterimol/B2: 3.49999  Sterimol/B3: 4.01031
  Sterimol/B4: 6.25404  Sterimol/L: 16.2997 
 
 Surface and Volume Properties
  Accessible surface: 561.803  Positive charged surface: 366.989  Negative charged surface: 194.814  Volume: 317.375
  Hydrophobic surface: 492.174  Hydrophilic surface: 69.629
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.