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ENAMINE-ZINC06789359

 MMsINC code: MMs01698797
Type: Neutral
Formula: C17H15ClFNO3
SMILES:   Clc1cc(cc2OCCCOc12)C(=O)NCc1ccc(F)cc1
InChI:   InChI=1/C17H15ClFNO3/c18-14-8-12(9-15-16(14)23-7-1-6-22-15)17(21)20-10-11-2-4-13(19)5-3-11/h2-5,8-9H,1,6-7,10H2,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.9471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.762 g/mol  logS: -4.77955  SlogP: 3.8368  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482046  Sterimol/B1: 2.47059  Sterimol/B2: 4.31968  Sterimol/B3: 4.80555
  Sterimol/B4: 5.28508  Sterimol/L: 17.0267 
 
 Surface and Volume Properties
  Accessible surface: 559.738  Positive charged surface: 314.945  Negative charged surface: 244.793  Volume: 293.75
  Hydrophobic surface: 495.519  Hydrophilic surface: 64.219
 
 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.