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PUBCHEM-ZINC02532062

 MMsINC code: MMs02895593
Type: Neutral
Formula: C23H20FN3O3
SMILES:   Fc1ccc(cc1)C(=O)NCC(=O)N\N=C\c1cc(OCc2ccccc2)ccc1
InChI:   InChI=1/C23H20FN3O3/c24-20-11-9-19(10-12-20)23(29)25-15-22(28)27-26-14-18-7-4-8-21(13-18)30-16-17-5-2-1-3-6-17/h1-14H,15-16H2,(H,25,29)(H,27,28)/b26-14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.429 g/mol  logS: -5.82398  SlogP: 3.5512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0114641  Sterimol/B1: 3.01003  Sterimol/B2: 3.61715  Sterimol/B3: 3.61878
  Sterimol/B4: 6.17333  Sterimol/L: 25.3872 
 
 Surface and Volume Properties
  Accessible surface: 735.165  Positive charged surface: 406.977  Negative charged surface: 328.188  Volume: 383.375
  Hydrophobic surface: 594.134  Hydrophilic surface: 141.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.