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IBS-ZINC06628363

 MMsINC code: MMs01958815
Type: Neutral
Formula: C23H18ClFN2O2
SMILES:   Clc1cccc(F)c1COc1cc(O)c(cc1)-c1n[nH]c(C)c1-c1ccccc1
InChI:   InChI=1/C23H18ClFN2O2/c1-14-22(15-6-3-2-4-7-15)23(27-26-14)17-11-10-16(12-21(17)28)29-13-18-19(24)8-5-9-20(18)25/h2-12,28H,13H2,1H3,(H,26,27)

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Potential Energy
Epot(MMFF94)=101.644 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: 0.0653595  Sterimol/B1: 4.01617  Sterimol/B2: 4.12092  Sterimol/B3: 4.45521
  Sterimol/B4: 6.62372  Sterimol/L: 18.6129 
 
 Surface and Volume Properties
  Accessible surface: 663.268  Positive charged surface: 352.596  Negative charged surface: 310.671  Volume: 372.125
  Hydrophobic surface: 551.323  Hydrophilic surface: 111.945
 
 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.