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FDA-ZINC03831277

 MMsINC code: MMs01727200
Type: Neutral
Formula: C19H20FNO3
SMILES:   Fc1ccc(cc1)C1CCNCC1OCc1cc2OCOc2cc1
InChI:   InChI=1/C19H20FNO3/c20-15-4-2-14(3-5-15)16-7-8-21-10-19(16)22-11-13-1-6-17-18(9-13)24-12-23-17/h1-6,9,16,19,21H,7-8,10-12H2/t16-,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.371 g/mol  logS: -3.57264  SlogP: 3.4831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0887327  Sterimol/B1: 2.47804  Sterimol/B2: 4.58351  Sterimol/B3: 5.02957
  Sterimol/B4: 6.88101  Sterimol/L: 15.2411 
 
 Surface and Volume Properties
  Accessible surface: 564.17  Positive charged surface: 386.253  Negative charged surface: 177.917  Volume: 310.75
  Hydrophobic surface: 467.042  Hydrophilic surface: 97.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs01727201
FDA-ZINC03831277