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CHEMDIV-ZINC04791855

 MMsINC code: MMs00956420
Type: Neutral
Formula: C23H17F2N3O3
SMILES:   Fc1cc(NC(=O)c2cc3NC(=O)N(CCc4ccccc4)C(=O)c3cc2)ccc1F
InChI:   InChI=1/C23H17F2N3O3/c24-18-9-7-16(13-19(18)25)26-21(29)15-6-8-17-20(12-15)27-23(31)28(22(17)30)11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,26,29)(H,27,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.6257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.403 g/mol  logS: -6.22123  SlogP: 4.44747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0108516  Sterimol/B1: 2.73213  Sterimol/B2: 3.00052  Sterimol/B3: 3.54018
  Sterimol/B4: 4.92639  Sterimol/L: 23.0614 
 
 Surface and Volume Properties
  Accessible surface: 668.682  Positive charged surface: 343.879  Negative charged surface: 324.803  Volume: 370.625
  Hydrophobic surface: 542.736  Hydrophilic surface: 125.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.