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CHEMBRIDGE-ZINC01817698

 MMsINC code: MMs00698703
Type: Neutral
Formula: C23H18ClFN2O3
SMILES:   Clc1cc(F)ccc1COc1cc(O)c(cc1)-c1n[nH]cc1-c1ccccc1OC
InChI:   InChI=1/C23H18ClFN2O3/c1-29-22-5-3-2-4-17(22)19-12-26-27-23(19)18-9-8-16(11-21(18)28)30-13-14-6-7-15(25)10-20(14)24/h2-12,28H,13H2,1H3,(H,26,27)

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Potential Energy
Epot(MMFF94)=115.87 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.859 g/mol  logS: -7.17846  SlogP: 6.0958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124595  Sterimol/B1: 2.08294  Sterimol/B2: 5.48242  Sterimol/B3: 5.67037
  Sterimol/B4: 6.92517  Sterimol/L: 17.7445 
 
 Surface and Volume Properties
  Accessible surface: 665.104  Positive charged surface: 369.393  Negative charged surface: 295.712  Volume: 381.5
  Hydrophobic surface: 542.949  Hydrophilic surface: 122.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.