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PUBCHEM-ZINC05952855

 MMsINC code: MMs03457940
Type: Neutral
Formula: C16H20FNO3
SMILES:   Fc1ccccc1C(NC(OCC)=O)C1CCCCC1=O
InChI:   InChI=1/C16H20FNO3/c1-2-21-16(20)18-15(11-7-3-5-9-13(11)17)12-8-4-6-10-14(12)19/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3,(H,18,20)/t12-,15+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.338 g/mol  logS: -3.26737  SlogP: 3.4677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187542  Sterimol/B1: 2.51546  Sterimol/B2: 3.45097  Sterimol/B3: 4.54574
  Sterimol/B4: 8.14366  Sterimol/L: 14.288 
 
 Surface and Volume Properties
  Accessible surface: 522.333  Positive charged surface: 346.015  Negative charged surface: 176.318  Volume: 276.125
  Hydrophobic surface: 445.177  Hydrophilic surface: 77.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.