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CHEMDIV-ZINC05134734

 MMsINC code: MMs00990695
Type: Neutral
Formula: C19H17FN2O3
SMILES:   Fc1ccc(cc1)-c1onc(c1)C(=O)NCc1ccccc1OCC
InChI:   InChI=1/C19H17FN2O3/c1-2-24-17-6-4-3-5-14(17)12-21-19(23)16-11-18(25-22-16)13-7-9-15(20)10-8-13/h3-11H,2,12H2,1H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.9146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.354 g/mol  logS: -5.16593  SlogP: 4.0758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0696722  Sterimol/B1: 2.391  Sterimol/B2: 3.58038  Sterimol/B3: 4.52129
  Sterimol/B4: 8.43759  Sterimol/L: 18.4802 
 
 Surface and Volume Properties
  Accessible surface: 618.469  Positive charged surface: 341.436  Negative charged surface: 277.033  Volume: 316.125
  Hydrophobic surface: 511.068  Hydrophilic surface: 107.401
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.