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PUBCHEM-ZINC00576428

MMsINC code: MMs02708464

Type: Neutral
Formula: C15H13ClFNO2
SMILES:   Clc1cccc(F)c1CNc1cc2OCCOc2cc1
InChI:   InChI=1/C15H13ClFNO2/c16-12-2-1-3-13(17)11(12)9-18-10-4-5-14-15(8-10)20-7-6-19-14/h1-5,8,18H,6-7,9H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=63.5459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.725 g/mol  logS: -4.22811  SlogP: 4.1288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.064294  Sterimol/B1: 2.87396  Sterimol/B2: 3.67504  Sterimol/B3: 4.88942
  Sterimol/B4: 4.94235  Sterimol/L: 16.2177 
 
 Surface and Volume Properties
  Accessible surface: 502.504  Positive charged surface: 289.139  Negative charged surface: 213.364  Volume: 255.875
  Hydrophobic surface: 466.394  Hydrophilic surface: 36.11
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.