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ENAMINE-ZINC06788964

 MMsINC code: MMs01698513
Type: Neutral
Formula: C18H15ClFNO3
SMILES:   Clc1cc(cc2OCCCOc12)\C=C\C(=O)Nc1ccc(F)cc1
InChI:   InChI=1/C18H15ClFNO3/c19-15-10-12(11-16-18(15)24-9-1-8-23-16)2-7-17(22)21-14-5-3-13(20)4-6-14/h2-7,10-11H,1,8-9H2,(H,21,22)/b7-2+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.773 g/mol  logS: -5.34133  SlogP: 4.2923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0179744  Sterimol/B1: 2.4988  Sterimol/B2: 3.07084  Sterimol/B3: 3.52841
  Sterimol/B4: 6.19888  Sterimol/L: 19.0547 
 
 Surface and Volume Properties
  Accessible surface: 576.758  Positive charged surface: 312.732  Negative charged surface: 264.026  Volume: 307.75
  Hydrophobic surface: 513.914  Hydrophilic surface: 62.844
 
 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.