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IBS-ZINC05343819

 MMsINC code: MMs01940809
Type: Neutral
Formula: C23H18ClFN2O2
SMILES:   Clc1cc(F)ccc1COc1cc(O)c(cc1)-c1n[nH]c(C)c1-c1ccccc1
InChI:   InChI=1/C23H18ClFN2O2/c1-14-22(15-5-3-2-4-6-15)23(27-26-14)19-10-9-18(12-21(19)28)29-13-16-7-8-17(25)11-20(16)24/h2-12,28H,13H2,1H3,(H,26,27)

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Potential Energy
Epot(MMFF94)=102.182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.86 g/mol  logS: -7.44147  SlogP: 6.39562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.054804  Sterimol/B1: 3.2889  Sterimol/B2: 4.74314  Sterimol/B3: 4.83687
  Sterimol/B4: 6.31912  Sterimol/L: 18.9039 
 
 Surface and Volume Properties
  Accessible surface: 657.931  Positive charged surface: 346.202  Negative charged surface: 311.729  Volume: 372
  Hydrophobic surface: 550.651  Hydrophilic surface: 107.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.