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CHEMBRIDGE-ZINC04834207

 MMsINC code: MMs00796178
Type: Neutral
Formula: C18H19ClFNO2
SMILES:   Clc1cccc(F)c1CN1CCc2cc(OC)c(OC)cc2C1
InChI:   InChI=1/C18H19ClFNO2/c1-22-17-8-12-6-7-21(10-13(12)9-18(17)23-2)11-14-15(19)4-3-5-16(14)20/h3-5,8-9H,6-7,10-11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.8679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.806 g/mol  logS: -4.33813  SlogP: 4.58737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100182  Sterimol/B1: 3.18874  Sterimol/B2: 4.0257  Sterimol/B3: 5.16268
  Sterimol/B4: 6.9945  Sterimol/L: 15.1595 
 
 Surface and Volume Properties
  Accessible surface: 564.059  Positive charged surface: 381.211  Negative charged surface: 182.848  Volume: 310.375
  Hydrophobic surface: 537.672  Hydrophilic surface: 26.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00796179
CHEMBRIDGE-ZINC04834207